The Ruthenium Nitrosyl Moiety in Clusters: Trinuclear Linear [mu]-Hydroxido Magnesium(II)-Dirutheniu

Stepanenko, Iryna; Mizetskyi, Pavlo; Orlowska, Ewelina; Bučinsky, Luka?; Zalibera, Michal; Venosova, Barbora; Clemancey, Martin; Blondin, Genevieve; Rapta, Peter; Novitchi, Ghenadie; Schrader, Wolfgang; Schaniel, Dominik; Chen, Yu-Sheng; Lutz, Martin; Ko?i?ek, Jozef; Telser, Joshua; Arion, Vladimir B.

doi:10.1021/acs.inorgchem.1c03011

The Ruthenium Nitrosyl Moiety in Clusters: Trinuclear Linear [mu]-Hydroxido Magnesium(II)-Dirutheniu

Journal Article · 01 January 2022 · Inorg. Chem.

DOI:https://doi.org/10.1021/acs.inorgchem.1c03011· OSTI ID:1844664

Stepanenko, Iryna; Mizetskyi, Pavlo; Orlowska, Ewelina; Bučinsky, Luka?; Zalibera, Michal; Venosova, Barbora; Clemancey, Martin; Blondin, Genevieve; Rapta, Peter; Novitchi, Ghenadie; Schrader, Wolfgang; Schaniel, Dominik; Chen, Yu-Sheng; Lutz, Martin; Ko?i?ek, Jozef; Telser, Joshua; Arion, Vladimir B.

Research Organization:: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)

Sponsoring Organization:: DOE - Office Of Science; NSF

OSTI ID:: 1844664

Journal Information:: Inorg. Chem., Journal Name: Inorg. Chem. Journal Issue: (2) Vol. 61

Country of Publication:: United States

Language:: ENGLISH

References (118)

Photoactive ruthenium nitrosyls: Effects of light and potential application as NO donors Rose, Michael J.; Mascharak, Pradip K. Coordination Chemistry Reviews, Vol. 252, Issue 18-20 https://doi.org/10.1016/j.ccr.2007.11.011	journal	October 2008
The impact of counterion on the metastable state properties of nitrosyl ruthenium complexes Mikhailov, Artem A.; Komarov, Vladislav Yu.; Sukhikh, Aleksandr S. New Journal of Chemistry, Vol. 44, Issue 41 https://doi.org/10.1039/D0NJ04436A	journal	January 2020
Basis Set Exchange: A Community Database for Computational Sciences Schuchardt, Karen L.; Didier, Brett T.; Elsethagen, Todd Journal of Chemical Information and Modeling, Vol. 47, Issue 3 https://doi.org/10.1021/ci600510j	journal	March 2007
Oxoethoxide Chlorides – Representatives of Oligonuclear Alkoxide Complexes of Gallium: Penta‐ and Dodecanuclear Molecules Suslova, Evgeniya V.; Kessler, Vadim G.; Gohil, Suresh European Journal of Inorganic Chemistry, Vol. 2007, Issue 33 https://doi.org/10.1002/ejic.200700635	journal	November 2007
Electronic Structural Effects in Self-Exchange Reactions ^† Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P. The Journal of Physical Chemistry B, Vol. 114, Issue 45 https://doi.org/10.1021/jp103009b	journal	November 2010
Monomeric and extended oxo-centered triruthenium clusters Toma, H. Coordination Chemistry Reviews, Vol. 219-221 https://doi.org/10.1016/S0010-8545(01)00326-5	journal	October 2001
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant Angeli, Celestino; Cimiraglia, Renzo; Malrieu, Jean-Paul Chemical Physics Letters, Vol. 350, Issue 3-4 https://doi.org/10.1016/S0009-2614(01)01303-3	journal	December 2001
NO Releasing and Anticancer Properties of Octahedral Ruthenium–Nitrosyl Complexes with Equatorial 1 H -Indazole Ligands Orlowska, Ewelina; Babak, Maria V.; Dömötör, Orsolya Inorganic Chemistry, Vol. 57, Issue 17 https://doi.org/10.1021/acs.inorgchem.8b01341	journal	August 2018
Introduction of n -electron valence states for multireference perturbation theory Angeli, C.; Cimiraglia, R.; Evangelisti, S. The Journal of Chemical Physics, Vol. 114, Issue 23 https://doi.org/10.1063/1.1361246	journal	June 2001
Prediction of electron paramagnetic resonance g values using coupled perturbed Hartree–Fock and Kohn–Sham theory Neese, Frank The Journal of Chemical Physics, Vol. 115, Issue 24 https://doi.org/10.1063/1.1419058	journal	December 2001
Comparison of two efficient approximate Hartee–Fock approaches Kossmann, Simone; Neese, Frank Chemical Physics Letters, Vol. 481, Issue 4-6 https://doi.org/10.1016/j.cplett.2009.09.073	journal	October 2009
Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine Dalton Transactions, Vol. 49, Issue 10 https://doi.org/10.1039/C9DT04832D	journal	January 2020
Nitric-oxide photorelease and photoinduced linkage isomerism on solid [Ru(NO)(terpy)(L)]BPh4 (L = glycolate dianion) Giglmeier, Helene; Kerscher, Tobias; Klüfers, Peter Dalton Transactions, Issue 42 https://doi.org/10.1039/b912162e	journal	January 2009
One-electron contributions to the g-tensor for second-order Douglas–Kroll–Hess theory Sandhoefer, B.; Neese, F. The Journal of Chemical Physics, Vol. 137, Issue 9 https://doi.org/10.1063/1.4747454	journal	September 2012
Remarkable thermal stability of light-induced Ru–ON linkage isomers in mixed salts of a ruthenium amine complex with a trans -ON–Ru–F coordinate Mikhailov, Artem A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V. Dalton Transactions, Vol. 50, Issue 8 https://doi.org/10.1039/D0DT04323K	journal	January 2021
Gallium and its competing roles with iron in biological systems Chitambar, Christopher R. Biochimica et Biophysica Acta (BBA) - Molecular Cell Research, Vol. 1863, Issue 8 https://doi.org/10.1016/j.bbamcr.2016.04.027	journal	August 2016
Electrospray Ionization Mass Spectrometric Study of the Gas-Phase Coordination Chemistry of Be ²⁺ Ions with 1,2- and 1,3-Diketone Ligands Raymond, Onyekachi; Brothers, Penelope J.; Buchner, Magnus R. Inorganic Chemistry, Vol. 58, Issue 9 https://doi.org/10.1021/acs.inorgchem.9b00578	journal	April 2019
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Lee, Chengteh; Yang, Weitao; Parr, Robert G. Physical Review B, Vol. 37, Issue 2 https://doi.org/10.1103/PhysRevB.37.785	journal	January 1988
Photoinduced linkage isomers in a model ruthenium nitrosyl complex: Identification and assignment of vibrational modes Mikhailov, Artem A.; Woike, Theo; Gansmüller, Axel Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 263 https://doi.org/10.1016/j.saa.2021.120217	journal	December 2021
Synthesis and Electronic Structure Diversity of Pyridine(diimine)iron Tetrazene Complexes Bowman, Amanda C.; Tondreau, Aaron M.; Lobkovsky, Emil Inorganic Chemistry, Vol. 57, Issue 16 https://doi.org/10.1021/acs.inorgchem.8b00140	journal	April 2018
A nitric oxide releaser based on the μ-oxo-hexaacetate-bis(4-methylpyridine)triruthenium nitrosyl complex Toma, Henrique E.; Alexiou, Anamaria D. P.; Formiga, André Luiz B. Inorganica Chimica Acta, Vol. 358, Issue 10 https://doi.org/10.1016/j.ica.2004.08.004	journal	June 2005
Biologically Relevant Heterodinuclear Iron–Manganese Complexes Carboni, Michaël; Clémancey, Martin; Molton, Florian Inorganic Chemistry, Vol. 51, Issue 19 https://doi.org/10.1021/ic301725z	journal	September 2012
Heteropentanuclear Oxalato-Bridged n d-4f ( n =4, 5) Metal Complexes with NO Ligand: Synthesis, Crystal Structures, Aqueous Stability and Antiproliferative Activity Kuhn, Paul-Steffen; Cremer, Laura; Gavriluta, Anatolie Chemistry - A European Journal, Vol. 21, Issue 39 https://doi.org/10.1002/chem.201502026	journal	August 2015
Ferredoxin/ferredoxin-thioredoxin reductase complex: Complete NMR mapping of the interaction site on ferredoxin by gallium substitution Xu, Xingfu; Kim, Sung-Kun; Schürmann, Peter FEBS Letters, Vol. 580, Issue 28-29 https://doi.org/10.1016/j.febslet.2006.11.027	journal	November 2006
Structural, Spectroscopic, and Photochemical Investigation of an Octahedral NO-Releasing {RuNO} ⁷ Species Levin, Natalia; Codesido, Nicolás Osa; Bill, Eckhard Inorganic Chemistry, Vol. 55, Issue 16 https://doi.org/10.1021/acs.inorgchem.6b00719	journal	July 2016
Diamagnetic Corrections and Pascal's Constants Bain, Gordon A.; Berry, John F. Journal of Chemical Education, Vol. 85, Issue 4 https://doi.org/10.1021/ed085p532	journal	April 2008
Bifunctional Materials Based on the Photochromic Cation [RuNO(NH ₃ ) ₅ ] ³⁺ with Paramagnetic Metal Complex Anions Kushch, Lyudmila A.; Kurochkina, Lyudmila S.; Yagubskii, Eduard B. European Journal of Inorganic Chemistry, Vol. 2006, Issue 20 https://doi.org/10.1002/ejic.200600271	journal	October 2006
Mechanism and biological implications of the NO release of cis-[Ru(bpy)2L(NO)]n+ complexes: A key role of physiological thiols Silva, Francisco O. N.; Cândido, Manuela C. L.; Holanda, Alda K. M. Journal of Inorganic Biochemistry, Vol. 105, Issue 5 https://doi.org/10.1016/j.jinorgbio.2011.02.004	journal	May 2011
Solution and solid-state light-induced transformations in heterometallic vanadium-ruthenium nitrosyl complex Fomenko, Iakov S.; Mikhailov, Artem A.; Vorobyev, Vasily Journal of Photochemistry and Photobiology A: Chemistry, Vol. 407 https://doi.org/10.1016/j.jphotochem.2020.113044	journal	February 2021
Correction to Biologically Relevant Heterodinuclear Iron–Manganese Complexes Carboni, Michaël; Clémancey, Martin; Molton, Florian Inorganic Chemistry, Vol. 51, Issue 21 https://doi.org/10.1021/ic302144r	journal	October 2012
Structural and Magnetic Characterization of a μ-1,5-Dicyanamide-Bridged Iron Basic Carboxylate [Fe ₃ O(O ₂ C(CH ₃ ) ₃ ) ₆ ] 1D Chain Alborés, Pablo; Rentschler, Eva Inorganic Chemistry, Vol. 47, Issue 18 https://doi.org/10.1021/ic801113d	journal	August 2008
SHELXT – Integrated space-group and crystal-structure determination Sheldrick, George M. Acta Crystallographica Section A Foundations and Advances, Vol. 71, Issue 1, p. 3-8 https://doi.org/10.1107/S2053273314026370	journal	January 2015
Nucleophilic addition reaction in coordinated non-linear pseudohalides: experimental charge density analysis in trans -bis(cyanamidonitrato- N : O )bis-(imidazole- N ³ )copper(II) complex Kožíšek, Jozef; Hansen, Niels K.; Fuess, Hartmut Acta Crystallographica Section B Structural Science, Vol. 58, Issue 3 https://doi.org/10.1107/S0108768102002410	journal	May 2002
Organoalkoxochlorogallane Chamazi, Navabeeh Nami; Heravi, Majid M.; Neumüller, Bernhard Zeitschrift für anorganische und allgemeine Chemie, Vol. 633, Issue 8 https://doi.org/10.1002/zaac.200700124	journal	July 2007
Is photoisomerization required for NO photorelease in ruthenium nitrosyl complexes? García, Juan Sanz; Alary, Fabienne; Boggio-Pasqua, Martial Journal of Molecular Modeling, Vol. 22, Issue 11 https://doi.org/10.1007/s00894-016-3138-2	journal	October 2016
The Mechanism of the Magnetodielectric Response in a Molecule‐Based Trinuclear Iron Cluster Material Li, Dong; Wang, Xuan; Zhao, Hai‐Xia Angewandte Chemie International Edition, Vol. 59, Issue 34 https://doi.org/10.1002/anie.202007813	journal	July 2020
Anion−Anion Assembly in Crystal of Sodium Nitroprusside Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Kotov, Vitalii Yu. The Journal of Physical Chemistry A, Vol. 112, Issue 37 https://doi.org/10.1021/jp803394f	journal	August 2008
Nitric Oxide Production by Visible Light Irradiation of Aqueous Solution of Nitrosyl Ruthenium Complexes Sauaia, Marília Gama; de Lima, Renata Galvão; Tedesco, Antonio Claudio Inorganic Chemistry, Vol. 44, Issue 26 https://doi.org/10.1021/ic051346j	journal	November 2005
Photoinduced inhibition of DNA repair enzymes and the possible mechanism of photochemical transformations of the ruthenium nitrosyl complex [RuNO(β-Pic) ₂ (NO ₂ ) ₂ OH] Mikhailov, Artem A.; Khantakova, Darya V.; Nichiporenko, Vladislav A. Metallomics, Vol. 11, Issue 12 https://doi.org/10.1039/C9MT00153K	journal	January 2019
Molecular and Electronic Structures of Tetrahedral Complexes of Nickel and Cobalt Containing N,N ‘-Disubstituted, Bulky o -Diiminobenzosemiquinonate(1−) π-Radical Ligands Chłopek, Krzysztof; Bothe, Eberhard; Neese, Frank Inorganic Chemistry, Vol. 45, Issue 16 https://doi.org/10.1021/ic060242l	journal	August 2006
Performance of Nonrelativistic and Quasi-Relativistic Hybrid DFT for the Prediction of Electric and Magnetic Hyperfine Parameters in ⁵⁷ Fe Mössbauer Spectra Sinnecker, Sebastian; Slep, Leonardo D.; Bill, Eckhard Inorganic Chemistry, Vol. 44, Issue 7 https://doi.org/10.1021/ic048609e	journal	April 2005
The role of databases in support of computational chemistry calculations Feller, David Journal of Computational Chemistry, Vol. 17, Issue 13 https://doi.org/10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P	journal	October 1996
Calibration of Modern Density Functional Theory Methods for the Prediction of ⁵⁷ Fe Mössbauer Isomer Shifts: Meta-GGA and Double-Hybrid Functionals Römelt, Michael; Ye, Shengfa; Neese, Frank Inorganic Chemistry, Vol. 48, Issue 3 https://doi.org/10.1021/ic801535v	journal	February 2009
A Pyrazolate-Supported Fe ₃ (μ ₃ -O) Core: Structural, Spectroscopic, Electrochemical, and Magnetic Study Piñero, Dalice; Baran, Peter; Boca, Roman Inorganic Chemistry, Vol. 46, Issue 26 https://doi.org/10.1021/ic0701460	journal	November 2007
A “Star” Antiferromagnet: A Polymeric Iron(III) Acetate That Exhibits Both Spin Frustration and Long-Range Magnetic Ordering Zheng, Yan-Zhen; Tong, Ming-Liang; Xue, Wei Angewandte Chemie International Edition, Vol. 46, Issue 32 https://doi.org/10.1002/anie.200701954	journal	August 2007
Crystallographic Computing System JANA2006: General features Petříček, Václav; Dušek, Michal; Palatinus, Lukáš Zeitschrift für Kristallographie - Crystalline Materials, Vol. 229, Issue 5 https://doi.org/10.1515/zkri-2014-1737	journal	January 2014
Theoretical Spectroscopy and Photodynamics of a Ruthenium Nitrosyl Complex Freitag, Leon; González, Leticia Inorganic Chemistry, Vol. 53, Issue 13 https://doi.org/10.1021/ic500283y	journal	April 2014
Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [Ru ^III/II Cl _6- _n (Azole) _n ] ^z ^{( n = 3, 4, 6) Complexes ^†} Reisner, Erwin; Arion, Vladimir B.; Eichinger, Anna Inorganic Chemistry, Vol. 44, Issue 19 https://doi.org/10.1021/ic0503737	journal	September 2005
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy Weigend, Florian; Ahlrichs, Reinhart Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305 https://doi.org/10.1039/b508541a	journal	January 2005
Density Functional Theory (DFT)-Based Bonding Analysis Correlates Ligand Field Strength with ⁹⁹ Ru Mössbauer Parameters of Ruthenium–Nitrosyl Complexes Kaneko, Masashi; Kato, Akane; Nakashima, Satoru Inorganic Chemistry, Vol. 58, Issue 20 https://doi.org/10.1021/acs.inorgchem.9b02024	journal	October 2019
[Ru(py) ₄ Cl(NO)](PF ₆ ) ₂ ·0.5H ₂ O: a model system for structural determination and ab initio calculations of photo-induced linkage NO isomers Cormary, Benoît; Malfant, Isabelle; Buron-Le Cointe, Marylize Acta Crystallographica Section B Structural Science, Vol. 65, Issue 5 https://doi.org/10.1107/S0108768109027207	journal	September 2009
Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles Büchel, Gabriel E.; Gavriluta, Anatolie; Novak, Maria Inorganic Chemistry, Vol. 52, Issue 11 https://doi.org/10.1021/ic400555k	journal	May 2013
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community Pritchard, Benjamin P.; Altarawy, Doaa; Didier, Brett Journal of Chemical Information and Modeling, Vol. 59, Issue 11 https://doi.org/10.1021/acs.jcim.9b00725	journal	October 2019
Syntheses and Properties of a Series of Oxo-Centered Triruthenium Complexes and Their Bridged Dimers with Isocyanide Ligands at Terminal and Bridging Positions Ota, Ken-ichiro; Sasaki, Hirokazu; Matsui, Taeko Inorganic Chemistry, Vol. 38, Issue 18 https://doi.org/10.1021/ic990234n	journal	August 1999
Room‐Temperature Photogeneration of Nitrosyl Linkage Isomers in Ruthenium Nitrosyl Complexes Mikhailov, Artem A.; Wenger, Emmanuel; Kostin, Gennadiy A. Chemistry – A European Journal, Vol. 25, Issue 31 https://doi.org/10.1002/chem.201901205	journal	May 2019
Donation and scavenging of nitric oxide (NO) by flipping of the denticity of carboxylate ligand in novel ruthenium complexes: Photolability of the coordinated NO Ghosh, Kaushik; Kumar, Sushil; Kumar, Rajan Inorganica Chimica Acta, Vol. 405 https://doi.org/10.1016/j.ica.2013.04.042	journal	August 2013
On the Electronic Structure of mer , trans ‐[RuCl ₃ (1 H ‐indazole) ₂ (NO)], a Hypothetical Metabolite of the Antitumor Drug Candidate KP1019: An Experimental and DFT Study Bučinský, Lukas; Büchel, Gabriel E.; Ponec, Robert European Journal of Inorganic Chemistry, Vol. 2013, Issue 14 https://doi.org/10.1002/ejic.201201526	journal	April 2013
Importance of Direct Spin−Spin Coupling and Spin-Flip Excitations for the Zero-Field Splittings of Transition Metal Complexes: A Case Study Neese, Frank Journal of the American Chemical Society, Vol. 128, Issue 31 https://doi.org/10.1021/ja061798a	journal	August 2006
Tuning the Electronic Structure of Halidobis(o-imino-benzosemiquinonato)iron(III) Complexes Chun, Hyungphil; Weyhermüller, Thomas; Bill, Eckhard Angewandte Chemie International Edition, Vol. 40, Issue 13 https://doi.org/10.1002/1521-3773(20010702)40:13<2489::AID-ANIE2489>3.0.CO;2-5	journal	July 2001
Electronic structure alternatives in nitrosylruthenium complexes Lahiri, Goutam Kumar; Kaim, Wolfgang Dalton Transactions, Vol. 39, Issue 19 https://doi.org/10.1039/c002173c	journal	January 2010
Tailoring NO Donors Metallopharmaceuticals: Ruthenium Nitrosyl Ammines and Aliphatic Tetraazamacrocycles Tfouni, E.; G. Doro, F.; E. Figueiredo, L. Current Medicinal Chemistry, Vol. 17, Issue 31 https://doi.org/10.2174/092986710793213788	journal	November 2010
Structural Influence on the Photochromic Response of a Series of Ruthenium Mononitrosyl Complexes Cormary, Benoit; Ladeira, Sonia; Jacob, Kane Inorganic Chemistry, Vol. 51, Issue 14 https://doi.org/10.1021/ic202702r	journal	April 2012
A New Approach for Studying Fast Biological Reactions Involving Nitric Oxide: Generation of NO Using Photolabile Ruthenium and Manganese NO Donors Szundi, Istvan; Rose, Michael J.; Sen, Indranil Photochemistry and Photobiology, Vol. 82, Issue 5 https://doi.org/10.1562/2006-07-25-RC-984	journal	January 2006
Calibration of the n-electron valence state perturbation theory approach Havenith, Remco W. A.; Taylor, Peter R.; Angeli, Celestino The Journal of Chemical Physics, Vol. 120, Issue 10 https://doi.org/10.1063/1.1645243	journal	March 2004
Mössbauer Spectroscopy and Transition Metal Chemistry: Fundamentals and Applications Gütlich, Philipp; Bill, Eckhard; Trautwein, Alfred X. https://doi.org/10.1007/978-3-540-88428-6	book	January 2011
Near-IR light-induced photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes: formation, reactivity, and biological effects Giri, Bishnubasu; Saini, Taruna; Kumbhakar, Sadananda Dalton Transactions, Vol. 49, Issue 31 https://doi.org/10.1039/D0DT01788D	journal	January 2020
Photogeneration of two metastable NO linkage isomers with high populations of up to 76% in trans-[RuCl(py) ₄ (NO)][PF ₆ ] ₂ ·½H ₂ O Schaniel, Dominik; Cormary, Benoit; Malfant, Isabelle Phys. Chem. Chem. Phys., Vol. 9, Issue 28 https://doi.org/10.1039/B704778A	journal	January 2007
Heterometallic Complexes of Ruthenium and Lanthanides (Ce, Pr, Nd, Eu) with NO ₂ Bridges – Synthesis, Structures, Properties Borodin, A. O.; Kostin, G. A.; Plusnin, P. E. European Journal of Inorganic Chemistry, Vol. 2012, Issue 13 https://doi.org/10.1002/ejic.201101301	journal	March 2012
New features in the redox coordination chemistry of metal nitrosyls {M–NO+; M–NO; M–NO−(HNO)} Roncaroli, Federico; Videla, Mariela; Slep, Leonardo D. Coordination Chemistry Reviews, Vol. 251, Issue 13-14 https://doi.org/10.1016/j.ccr.2007.04.012	journal	July 2007
Tri-, deca- and dodecanuclear Co(iii)–pyrazolate metallacycles Miras, Haralampos N.; Chakraborty, Indranil; Raptis, Raphael G. Chemical Communications, Vol. 46, Issue 15 https://doi.org/10.1039/b920486e	journal	January 2010
NMR Study of Ligand Exchange and Electron Self-Exchange between Oxo-Centered Trinuclear Clusters [Fe ₃ (μ ₃ -O)(μ-O ₂ CR) ₆ (4-R′py) ₃ ] ^+/0 Novitchi, Ghenadie; Helm, Lothar; Anson, Christopher Inorganic Chemistry, Vol. 50, Issue 20 https://doi.org/10.1021/ic201484q	journal	September 2011
Renaissance in NO Chemistry Ford, Peter C.; Shiro, Yoshitsugu; van Eldik, Rudi Inorganic Chemistry, Vol. 60, Issue 21 https://doi.org/10.1021/acs.inorgchem.1c03287	journal	November 2021
Square Planar vs Tetrahedral Coordination in Diamagnetic Complexes of Nickel(II) Containing Two Bidentate π-Radical Monoanions Blanchard, Sebastien; Neese, Frank; Bothe, Eberhard Inorganic Chemistry, Vol. 44, Issue 10 https://doi.org/10.1021/ic040117e	journal	May 2005
Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P. Inorganica Chimica Acta, Vol. 503 https://doi.org/10.1016/j.ica.2019.119402	journal	April 2020
Stepwise, ring-closure synthesis and characterization of a homoleptic palladium(ii)-pyrazolato cyclic trimer Baran, Peter; Marrero, Cruz M.; Pérez, Soribel Chemical Communications, Issue 9 https://doi.org/10.1039/b201301k	journal	April 2002
Pentacoordinated cloro-bis-o-iminosemiquinonato Mn and Fe complexes Piskunov, Alexandr V.; Pashanova, Kira I.; Ershova, Irina V. Journal of Molecular Structure, Vol. 1165 https://doi.org/10.1016/j.molstruc.2018.03.091	journal	August 2018
Density-functional exchange-energy approximation with correct asymptotic behavior Becke, A. D. Physical Review A, Vol. 38, Issue 6 https://doi.org/10.1103/PhysRevA.38.3098	journal	September 1988
Software update: the ORCA program system, version 4.0: Software update Neese, Frank Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 8, Issue 1 https://doi.org/10.1002/wcms.1327	journal	July 2017
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis Vosko, S. H.; Wilk, L.; Nusair, M. Canadian Journal of Physics, Vol. 58, Issue 8 https://doi.org/10.1139/p80-159	journal	August 1980
Electronic structure of Schiff-base peroxo{2,2′-[1,2-phenylenebis(nitrilomethanylylidene)]bis(6-methoxyphenolato)}titanium(IV) monohydrate: a possible model structure of the reaction center for the theoretical study of hemoglobin Kožíšková, Júlia Adamko; Breza, Martin; Valko, Marián IUCrJ, Vol. 8, Issue 2 https://doi.org/10.1107/S205225252100004X	journal	February 2021
Photoinduced Nitrosyl Linkage Isomers Uncover a Variety of Unconventional Photorefractive Media Schaniel, D.; Imlau, M.; Weisemoeller, T. Advanced Materials, Vol. 19, Issue 5 https://doi.org/10.1002/adma.200601378	journal	March 2007
Two-Step Photon Absorption Driving the Chemical Reaction in the Model Ruthenium Nitrosyl System [Ru(py) ₄ Cl(NO)](PF ₆ ) ₂ · ¹ / ₂ H ₂ O Khadeeva, Liya; Kaszub, Wawrzyniec; Lorenc, Maciej Inorganic Chemistry, Vol. 55, Issue 9 https://doi.org/10.1021/acs.inorgchem.5b02572	journal	April 2016
Theoretical Evidence for the Singlet Diradical Character of Square Planar Nickel Complexes Containing Two o -Semiquinonato Type Ligands Bachler, Vinzenz; Olbrich, Gottfried; Neese, Frank Inorganic Chemistry, Vol. 41, Issue 16 https://doi.org/10.1021/ic0113101	journal	August 2002
Ab Initio and Coupled-Perturbed Density Functional Theory Estimation of Zero-Field Splittings in Mn ^II Transition Metal Complexes Zein, Samir; Neese, Frank The Journal of Physical Chemistry A, Vol. 112, Issue 34 https://doi.org/10.1021/jp804062a	journal	August 2008
Nitric oxide (NO) photo-release in a series of ruthenium–nitrosyl complexes: new experimental insights in the search for a comprehensive mechanism Roose, Max; Tassé, Marine; Lacroix, Pascal G. New Journal of Chemistry, Vol. 43, Issue 2 https://doi.org/10.1039/C8NJ03907K	journal	January 2019
Ga ³⁺ as a Functional Substitute for Fe ³⁺ : Preparation and Characterization of the Ga ³⁺ Fe ²⁺ and Ga ³⁺ Zn ²⁺ Forms of Bovine Spleen Purple Acid Phosphatase Merkx, Maarten; Averill, Bruce A. Biochemistry, Vol. 37, Issue 23 https://doi.org/10.1021/bi972929a	journal	May 1998
Gallium(III) Tetraphenylporphyrinates Containing Hydrosulfide and Thiolate Ligands: Structural Models for Sulfur-Bound Iron(III) Hemes Meininger, Daniel J.; Chee-Garza, Max; Arman, Hadi D. Inorganic Chemistry, Vol. 55, Issue 5 https://doi.org/10.1021/acs.inorgchem.5b02822	journal	February 2016
Electron transfer in mixed-valence, oxo-centered, trinuclear iron acetate complexes: effect of statically disordered to dynamically disordered transformation in the solid state Oh, Seung M.; Hendrickson, David N.; Hassett, Karen L. Journal of the American Chemical Society, Vol. 106, Issue 25 https://doi.org/10.1021/ja00337a063	journal	December 1984
Anion Encapsulation by Neutral Supramolecular Assemblies of Cyclic CuII Complexes: A Series of Five Polymerization Isomers,[{cis-CuII(μ-OH)(μ-pz)}n],n=6, 8, 9, 12, and 14 Mezei, Gellert; Baran, Peter; Raptis, Raphael G. Angewandte Chemie International Edition, Vol. 43, Issue 5 https://doi.org/10.1002/anie.200352636	journal	January 2004
Reactivity of di- and tri-nuclear complexes of heavy mid-transition elements: a case of oxo-carboxylato-bridged complexes Sasaki, Y.; Umakoshi, K.; Imamura, Taira Pure and Applied Chemistry, Vol. 69, Issue 1 https://doi.org/10.1351/pac199769010205	journal	January 1997
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics Cancès, E.; Mennucci, B.; Tomasi, J. The Journal of Chemical Physics, Vol. 107, Issue 8 https://doi.org/10.1063/1.474659	journal	August 1997
A novel perturbation-based complete active space–self-consistent-field algorithm: Application to the direct calculation of localized orbitals Angeli, Celestino; Evangelisti, Stefano; Cimiraglia, Renzo The Journal of Chemical Physics, Vol. 117, Issue 23 https://doi.org/10.1063/1.1521434	journal	December 2002
EVAL15 : a diffraction data integration method based on ab initio predicted profiles Schreurs, Antoine M. M.; Xian, Xinyi; Kroon-Batenburg, Loes M. J. Journal of Applied Crystallography, Vol. 43, Issue 1 https://doi.org/10.1107/S0021889809043234	journal	December 2009
Syntheses, Structures, and Redox Properties of Dimeric Triruthenium Clusters Bridged by Bis(diphenylphosphino)acetylene and -ethylene Chen, Jing-Lin; Zhang, Li-Yi; Chen, Zhong-Ning Inorganic Chemistry, Vol. 43, Issue 4 https://doi.org/10.1021/ic0344968	journal	January 2004
Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study Herich, Peter; Bučinský, Lukáš; Breza, Martin Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 74, Issue 6 https://doi.org/10.1107/S2052520618013707	journal	November 2018
Establishing the NO oxidation state in complexes [Cl ₅ (NO)M] ⁿ⁻ , M = Ru or Ir, through experiments and DFT calculations Sieger, Monika; Sarkar, Biprajit; Záliš, Stanislav Dalton Trans., Issue 12 https://doi.org/10.1039/B404121F	journal	January 2004
Energy-adjustedab initio pseudopotentials for the second and third row transition elements Andrae, D.; H�u�ermann, U.; Dolg, M. Theoretica Chimica Acta, Vol. 77, Issue 2 https://doi.org/10.1007/BF01114537	journal	January 1990
Synthesis, structure and valence-trapping vs. detrapping for new trinuclear iron pentafluoro benzoate complexes: possible recognition of organic molecules by ⁵⁷ Fe Mössbauer spectroscopy Onaka, Satoru; Sakai, Yoichi; Ozeki, Tomoji Dalton Trans., Vol. 43, Issue 18 https://doi.org/10.1039/C3DT53623H	journal	January 2014
Principles of structure, bonding, and reactivity for metal nitrosyl complexes Enemark, J. H.; Feltham, R. D. Coordination Chemistry Reviews, Vol. 13, Issue 4 https://doi.org/10.1016/S0010-8545(00)80259-3	journal	September 1974
X-ray Structure and Nuclear Magnetic Resonance Analysis of the Interaction Sites of the Ga-Substituted Cyanobacterial Ferredoxin Mutoh, Risa; Muraki, Norifumi; Shinmura, Kanako Biochemistry, Vol. 54, Issue 39 https://doi.org/10.1021/acs.biochem.5b00601	journal	September 2015
Photoinduced nitrosyl linkage isomers in complexes based on the photochromic cation [RuNO(NH3)5]3+ with the paramagnetic anion [Cr(CN)6]3− and the diamagnetic anions [Co(CN)6]3− and [ZrF6]2− Schaniel, D.; Woike, Th.; Kushch, L. Chemical Physics, Vol. 340, Issue 1-3 https://doi.org/10.1016/j.chemphys.2007.08.023	journal	November 2007
Using electrospray ionisation mass spectrometry as a synthesis-targeting technique – An update on the chemistry of the platinum chalcogenide dimers [Pt2(μ2-E)2(PPh3)4] (E=S, Se) Henderson, William; Hor, T. S. Andy Inorganica Chimica Acta, Vol. 411 https://doi.org/10.1016/j.ica.2013.10.021	journal	February 2014
Analysis and Interpretation of Metal-Radical Coupling in a Series of Square Planar Nickel Complexes: Correlated Ab Initio and Density Functional Investigation of [Ni(L ^ISQ ) ₂ ] (L ^ISQ =3,5-di- tert -butyl- o -diiminobenzosemiquinonate(1-)) Herebian, Diran; Wieghardt, Karl E.; Neese, Frank Journal of the American Chemical Society, Vol. 125, Issue 36 https://doi.org/10.1021/ja030124m	journal	September 2003
Combining photoinduced linkage isomerism and nonlinear optical properties in ruthenium nitrosyl complexes Mikhailov, Artem; Vuković, Vedran; Kijatkin, Christian Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 75, Issue 6 https://doi.org/10.1107/S205252061901357X	journal	November 2019
Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches Duboc, Carole; Ganyushin, Dmitry; Sivalingam, Kantharuban The Journal of Physical Chemistry A, Vol. 114, Issue 39 https://doi.org/10.1021/jp107823s	journal	October 2010
Tetranuclear Ru 2 Ln 2 complexes of heavier lanthanides (Gd, Tb, Dy, Ho, Lu) with [RuNO(NO 2 ) 4 OH] 2− anion, combining SMM properties and photoswitchable Ru-NO group Kostin, Gennadiy A.; Borodin, Alexander O.; Kuratieva, Natalia V. Inorganica Chimica Acta, Vol. 479 https://doi.org/10.1016/j.ica.2018.04.006	journal	July 2018
Phase transitions affecting intramolecular electron transfer in mixed-valence trinuclear iron acetate complexes Oh, Seung M.; Kambara, Takeshi; Hendrickson, David N. Journal of the American Chemical Society, Vol. 107, Issue 19 https://doi.org/10.1021/ja00305a044	journal	September 1985
Structural and Photodynamic Studies on Nitrosylruthenium-Complexed Serum Albumin as a Delivery System for Controlled Nitric Oxide Release Xie, Leilei; Bai, Hehe; Song, Luna Inorganic Chemistry, Vol. 60, Issue 12 https://doi.org/10.1021/acs.inorgchem.1c00762	journal	June 2021
Ruthenium-Nitrosyl Complexes with Glycine, l -Alanine, l -Valine, l -Proline, d -Proline, l -Serine, l -Threonine, and l -Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity Rathgeb, Anna; Böhm, Andreas; Novak, Maria S. Inorganic Chemistry, Vol. 53, Issue 5 https://doi.org/10.1021/ic4031359	journal	February 2014
The ORCA program system: The ORCA program system Neese, Frank Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 2, Issue 1 https://doi.org/10.1002/wcms.81	journal	June 2011
Electronic Structures of Five-Coordinate Complexes of Iron Containing Zero, One, or Two π-Radical Ligands: A Broken-Symmetry Density Functional Theoretical Study Chłopek, Krzysztof; Muresan, Nicoleta; Neese, Frank Chemistry - A European Journal, Vol. 13, Issue 30 https://doi.org/10.1002/chem.200700897	journal	October 2007
Nonlinear Least-Squares Fitting of Numerical Relativistic Atomic Wave Functions by a Linear Combination of Slater-Type Functions for Atoms with Z = 1–36 Su, Z.; Coppens, P. Acta Crystallographica Section A Foundations of Crystallography, Vol. 54, Issue 5 https://doi.org/10.1107/S0108767398003390	journal	September 1998
Coordination bonding in dicopper and dichromium tetrakis(μ‐acetato)‐diaqua complexes: Nature, strength, length, and topology Malček, Michal; Vénosová, Barbora; Puškárová, Ingrid Journal of Computational Chemistry, Vol. 41, Issue 7 https://doi.org/10.1002/jcc.26121	journal	December 2019
Komplexverbindungen des Rutheniums mit fünfzähligen heterocyclischen Basen II. Reaktionen des Ruthenium(III)-chlorids mit Pyrazol und Imidazol Králík, F.; Vřešťál, J. Collection of Czechoslovak Chemical Communications, Vol. 26, Issue 5 https://doi.org/10.1135/cccc19611298	journal	January 1961
Charge density studies on [(NO)Fe(S2C6H4)2][PPN] and [(NO)3Fe(S2C6H4)3] complexes Lee, Chi-Rung; Hsu, I-Jui; Chen, Hsu-Teng Comptes Rendus Chimie, Vol. 15, Issue 2-3 https://doi.org/10.1016/j.crci.2011.10.001	journal	February 2012
Mixed-Metal Trinuclear Complexes Containing Two Ruthenium(III) Ions and a Divalent Metal Ion, [Ru2M(.mu.3-O)(.mu.-CH3COO)6(L)3] (M = Mg, Mn, Co, Ni, Zn; L = H2O, Pyridine) Ohto, Akihiro; Sasaki, Yoichi; Ito, Tasuku Inorganic Chemistry, Vol. 33, Issue 7 https://doi.org/10.1021/ic00085a003	journal	March 1994
Novel drug delivery system for photoinduced nitric oxide (NO) delivery Kumar, Sushil; Kumar, Rajan; Ratnam, Anand Inorganic Chemistry Communications, Vol. 53 https://doi.org/10.1016/j.inoche.2015.01.013	journal	March 2015
Pressure versus Temperature Effects on Intramolecular Electron Transfer in Mixed-Valence Complexes Scheins, Stephan; Overgaard, Jacob; Timco, Grigore A. Chemistry - A European Journal, Vol. 19, Issue 1 https://doi.org/10.1002/chem.201201669	journal	November 2012

Similar Records

Trinuclear and Tetranuclear Ruthenium Carbonyl Nitrosyls: Oxidation of a Carbonyl Ligand by an Adjacent Nitrosyl Ligand

Journal Article · 2024 · Molecules · OSTI ID:2439502

Reactivity of trinuclear ruthenium clusters with mercury halides

Journal Article · 1986 · Inorg. Chem.; (United States) · OSTI ID:6036842

The Ruthenium Nitrosyl Moiety in Clusters: Trinuclear Linear [mu]-Hydroxido Magnesium(II)-Dirutheniu

Citation Formats

References (118)

Similar Records

Related Subjects