Formation and stability of Zr(IV), Hf(IV), Th(IV), and U(IV) bis(amide) dichloride complexes using bulky amide ligands: Insights into metal-arene interactions and hapticity

Haltom, Ian A.; Studvick, Chad M.; Litwin, Matthew P.; Popov, Ivan A.; Boncella, James M.

doi:10.1016/j.poly.2025.117539

Formation and stability of Zr(IV), Hf(IV), Th(IV), and U(IV) bis(amide) dichloride complexes using bulky amide ligands: Insights into metal-arene interactions and hapticity

Journal Article · Sun Jun 01 00:00:00 EDT 2025 · Polyhedron

DOI:https://doi.org/10.1016/j.poly.2025.117539· OSTI ID:2551897

Haltom, Ian A.; Studvick, Chad M.; Litwin, Matthew P.; Popov, Ivan A.;

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Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0004151

OSTI ID:: 2551897

Alternate ID(s):: OSTI ID: 2556879

Journal Information:: Polyhedron, Journal Name: Polyhedron Journal Issue: C Vol. 276; ISSN 0277-5387

Publisher:: ElsevierCopyright Statement

Country of Publication:: United Kingdom

Language:: English

References (88)

Two-electron valence indices from the Kohn-Sham orbitals Nalewajski, Roman F.; Mrozek, Janusz; Michalak, Artur International Journal of Quantum Chemistry, Vol. 61, Issue 3 https://doi.org/10.1002/(SICI)1097-461X(1997)61:3<589::AID-QUA28>3.0.CO;2-2	journal	January 1997
Cation-Cation Interactions, Magnetic Communication, and Reactivity of the Pentavalent Uranium Ion [U(N t Bu) ₂ ] ⁺ Spencer, Liam P.; Schelter, Eric J.; Yang, Ping Angewandte Chemie International Edition, Vol. 48, Issue 21 https://doi.org/10.1002/anie.200806190	journal	May 2009
Synthesis and Characterization of a Uranium(II) Monoarene Complex Supported by δ Backbonding La Pierre, Henry S.; Scheurer, Andreas; Heinemann, Frank W. Angewandte Chemie International Edition, Vol. 53, Issue 28 https://doi.org/10.1002/anie.201402050	journal	May 2014
Towards Heteroleptic Dicoordinate Cu^II Complexes Kaiser, Michelle; Göttlicher, Jörg; Vitova, Tonya Chemistry – A European Journal, Vol. 27, Issue 30 https://doi.org/10.1002/chem.202100888	journal	May 2021
Neutral and Cationic [Bis(η¹‐amidosilyl)‐η⁵‐cyclopentadienyl]titanium and ‐zirconium Complexes: Synthesis, X‐ray Molecular Structures and DFT Calculations Cano, Jesús; Royo, Pascual; Jacobsen, Heiko European Journal of Inorganic Chemistry, Vol. 2003, Issue 13 https://doi.org/10.1002/ejic.200200698	journal	June 2003
Multiwfn: A multifunctional wavefunction analyzer Lu, Tian; Chen, Feiwu Journal of Computational Chemistry, Vol. 33, Issue 5 https://doi.org/10.1002/jcc.22885	journal	December 2011
Bond order and valence: Relations to Mulliken's population analysis Mayer, I. International Journal of Quantum Chemistry, Vol. 26, Issue 1 https://doi.org/10.1002/qua.560260111	journal	July 1984
Modified valence indices from the two-particle density matrix Nalewajski, Roman F.; Mrozek, Janusz International Journal of Quantum Chemistry, Vol. 51, Issue 4 https://doi.org/10.1002/qua.560510403	journal	August 1994
Mixed Chloro(dialkylamido) Complexes of Zirconium and Hafnium Brenner, Simon; Kempe, Rhett; Arndt, Perdita Zeitschrift für anorganische und allgemeine Chemie, Vol. 621, Issue 12 https://doi.org/10.1002/zaac.19956211207	journal	December 1995
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
Electron-pairing analysis from localization and delocalization indices in the framework of the atoms-in-molecules theory Fradera, Xavier; Poater, Jordi; Simon, Sílvia Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 108, Issue 4 https://doi.org/10.1007/s00214-002-0375-5	journal	October 2002
Charge, bond order and valence in the AB initio SCF theory Mayer, I. Chemical Physics Letters, Vol. 97, Issue 3 https://doi.org/10.1016/0009-2614(83)80005-0	journal	May 1983
Zur synthese von siloxanen Rühlmann, K.; Grosse-Ruyken, H.; Scheller, D. Journal of Organometallic Chemistry, Vol. 356, Issue 1 https://doi.org/10.1016/0022-328X(88)80671-5	journal	November 1988
η6-Arene derivatives of titanium(IV), zirconium(IV) and hafnium(IV) Calderazzo, Fausto; Ferri, Isabella; Pampaloni, Guido Journal of Organometallic Chemistry, Vol. 518, Issue 1-2 https://doi.org/10.1016/0022-328X(96)06194-3	journal	July 1996
Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane Wiberg, K. B. Tetrahedron, Vol. 24, Issue 3 https://doi.org/10.1016/0040-4020(68)88057-3	journal	January 1968
Charge-transfer bonding in metal–arene coordination Hubig, Stephan M.; Lindeman, Sergey V.; Kochi, Jay K. Coordination Chemistry Reviews, Vol. 200-202 https://doi.org/10.1016/S0010-8545(00)00322-2	journal	May 2000
Organometallic chemistry of the actinides. Part 3 novel 1-aza-allyl- and β-diketiminatothorium chlorides; X-ray structures of and [LL′ = N(SiMe3)C(But)C(H)SiMe3; LL = N(SiMe3)C(Ph)2CH] Hitchcock, Peter B.; Hu, Jin; Lappert, Michael F. Journal of Organometallic Chemistry, Vol. 536-537 https://doi.org/10.1016/S0022-328X(96)06780-0	journal	May 1997
Actinide coordination and organometallic complexes with multidentate polyamido ligands Hayes, Cassandra E.; Leznoff, Daniel B. Coordination Chemistry Reviews, Vol. 266-267 https://doi.org/10.1016/j.ccr.2013.11.020	journal	May 2014
Theoretical design and exploration of low-valent uranium metallocenes via manipulating cyclopentadienyl substituent Su, Dong-Mei; Cai, Hong-Xue; Zheng, Xiu-Jun Computational and Theoretical Chemistry, Vol. 1195 https://doi.org/10.1016/j.comptc.2020.113107	journal	January 2021
Synthesis and physico-chemical characterization of [Hf(NEt2)2Cl2(DME)] and its use as catalyst for ethylene polymerization Carta, Giovanni; Rossetto, Gilberto; Benetollo, Franco Inorganic Chemistry Communications, Vol. 10, Issue 8 https://doi.org/10.1016/j.inoche.2007.05.002	journal	August 2007
New UIII and UIV silylamides and an improved synthesis of NaN(SiMe2R)2 (R = Me, Ph) Mansell, Stephen M.; Perandones, Bernabé Fernandez; Arnold, Polly L. Journal of Organometallic Chemistry, Vol. 695, Issue 25-26 https://doi.org/10.1016/j.jorganchem.2010.08.019	journal	December 2010
Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław Polyhedron, Vol. 90 https://doi.org/10.1016/j.poly.2015.01.035	journal	April 2015
Segmented contraction scheme for small-core actinide pseudopotential basis sets Cao, Xiaoyan; Dolg, Michael Journal of Molecular Structure: THEOCHEM, Vol. 673, Issue 1-3 https://doi.org/10.1016/j.theochem.2003.12.015	journal	March 2004
Covalency of Trivalent Actinide Ions with Different Donor Ligands: Do Density Functional and Multiconfigurational Wavefunction Calculations Corroborate the Observed “Breaks”? Yu, Xiaojuan; Sergentu, Dumitru-Claudiu; Feng, Rulin Inorganic Chemistry, Vol. 60, Issue 23 https://doi.org/10.1021/acs.inorgchem.1c02374	journal	November 2021
A Combined Experimental and Theoretical Investigation of Arene-Supported Actinide and Ytterbium Tetraphenolate Complexes Lam, Francis Y. T.; Wells, Jordann A. L.; Ochiai, Tatsumi Inorganic Chemistry, Vol. 61, Issue 11 https://doi.org/10.1021/acs.inorgchem.1c03365	journal	March 2022
Reduction of Thorium Tris(amido)arene Complexes: Reversible Double and Single C–C Couplings Deng, Chong; Liang, Jiefeng; Wang, Yi Inorganic Chemistry, Vol. 63, Issue 21 https://doi.org/10.1021/acs.inorgchem.4c00458	journal	May 2024
A Two-Coordinate Iron(II) Imido Complex with NHC Ligation: Synthesis, Characterization, and Its Diversified Reactivity of Nitrene Transfer and C–H Bond Activation Cheng, Jun; Liu, Jian; Leng, Xuebing Inorganic Chemistry, Vol. 58, Issue 11 https://doi.org/10.1021/acs.inorgchem.9b01147	journal	May 2019
Computational Investigation of the Bonding in [(η⁵–Cp′)₃(η¹–Cp′)M]^1– (M = Pu, U, Ce) Celis-Barros, Cristian; Albrecht-Schönzart, Thomas; Windorff, Cory J. Organometallics, Vol. 40, Issue 11 https://doi.org/10.1021/acs.organomet.0c00803	journal	May 2021
Synthesis and Characterization of Uranium Complexes Supported by Substituted Aryldimethylsilylanilide Ligands Reinhart, Erik D.; Studvick, Chad M.; Tondreau, Aaron M. Organometallics, Vol. 43, Issue 3, p. 284-298 https://doi.org/10.1021/acs.organomet.3c00458	journal	January 2024
Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene Zhou, Enwei; Ren, Wenshan; Hou, Guohua Organometallics, Vol. 34, Issue 14 https://doi.org/10.1021/acs.organomet.5b00454	journal	July 2015
Detailed Density Functional Theory Study of the Cationic Zirconocene Compound [Cp(C₅H₄CMe₂C₆H₄F)ZrMe]⁺ Saßmannshausen, Jörg ACS Omega, Vol. 7, Issue 39 https://doi.org/10.1021/acsomega.2c04053	journal	September 2022
Reactions of Aromatic Heterocycles with Uranium Alkyl Complexes Duhović, Selma; Monreal, Marisa J.; Diaconescu, Paula L. Inorganic Chemistry, Vol. 49, Issue 15 https://doi.org/10.1021/ic1009835	journal	June 2010
Uranium(IV) Halide (F ⁻ , Cl ⁻ , Br ⁻ , and I ⁻ ) Monoarene Complexes Halter, Dominik P.; La Pierre, Henry S.; Heinemann, Frank W. Inorganic Chemistry, Vol. 53, Issue 16 https://doi.org/10.1021/ic501011p	journal	July 2014
Crystal structure of tetrakis[bis(N,N'-dimethylethylenediamido)uranium(IV)], tetrameric globular complex Reynolds, John G.; Zalkin, Allan.; Templeton, David H. Inorganic Chemistry, Vol. 16, Issue 8 https://doi.org/10.1021/ic50174a006	journal	August 1977
Preparation and crystal structure of the 1,2-dimethoxyethane complex of bis[bis(trimethylsilyl)amido]dichlorouranium(IV) McCullough, Laughlin G.; Turner, Howard W.; Andersen, Richard A. Inorganic Chemistry, Vol. 20, Issue 9 https://doi.org/10.1021/ic50223a025	journal	September 1981
Redox Processes in a Uranium Bis(1,1‘-diamidoferrocene) Complex Monreal, Marisa J.; Carver, Colin T.; Diaconescu, Paula L. Inorganic Chemistry, Vol. 46, Issue 18 https://doi.org/10.1021/ic700457h	journal	May 2007
Spin-State Crossover with Structural Changes in a Cobalt(II) Organometallic Species: Low-Coordinate, First Row, Heteroleptic Amido Transition Metal Aryls. Synthesis and Characterization of Ar′MN(H)Ar^# (M = Mn, Fe, Co) (Ar′ = C₆H₃-2,6-(C₆H₃-2,6-ⁱPr₂)₂, Ar^# = C₆H₃-2,6-(C₆H₂-2,4,6-Me₃)₂) Ni, Chengbao; Fettinger, James C.; Long, Gary J. Inorganic Chemistry, Vol. 48, Issue 6 https://doi.org/10.1021/ic801660a	journal	February 2009
What a Difference a 5f Element Makes: Trivalent and Tetravalent Uranium Halide Complexes Supported by One and Two Bis[2-(diisopropylphosphino)-4-methylphenyl]amido (PNP) Ligands Cantat, Thibault; Scott, Brian L.; Morris, David E. Inorganic Chemistry, Vol. 48, Issue 5 https://doi.org/10.1021/ic802061x	journal	March 2009
A New Tripodal Ligand System with Steric and Electronic Modularity for Uranium Coordination Chemistry Bart, Suzanne C.; Heinemann, Frank W.; Anthon, Christian Inorganic Chemistry, Vol. 48, Issue 19 https://doi.org/10.1021/ic9012697	journal	October 2009
Natural hybrid orbitals Foster, J. P.; Weinhold, F. Journal of the American Chemical Society, Vol. 102, Issue 24 https://doi.org/10.1021/ja00544a007	journal	September 1980
Spatial localization of the electronic pair and number distributions in molecules Bader, R. F. W.; Stephens, M. E. Journal of the American Chemical Society, Vol. 97, Issue 26 https://doi.org/10.1021/ja00859a001	journal	December 1975
Organic Compounds of Uranium. II. Uranium(IV) Amides, Alkoxides and Mercaptides Jones, R. G.; Karmas, G.; Martin, G. A. Journal of the American Chemical Society, Vol. 78, Issue 17 https://doi.org/10.1021/ja01598a026	journal	September 1956
Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes LoCoco, Matthew D.; Zhang, Xingwang; Jordan, Richard F. Journal of the American Chemical Society, Vol. 126, Issue 46 https://doi.org/10.1021/ja046629+	journal	November 2004
Ligand-Induced Haptotropic Rearrangements in Bis(indenyl)zirconium Sandwich Complexes Bradley, Christopher A.; Lobkovsky, Emil; Keresztes, Ivan Journal of the American Chemical Society, Vol. 127, Issue 29 https://doi.org/10.1021/ja052033q	journal	July 2005
Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies Ren, Wenshan; Zi, Guofu; Fang, De-Cai Journal of the American Chemical Society, Vol. 133, Issue 33 https://doi.org/10.1021/ja205280k	journal	August 2011
Heterodinuclear Uranium/Molybdenum Dinitrogen Complexes Odom, Aaron L.; Arnold, Polly L.; Cummins, Christopher C. Journal of the American Chemical Society, Vol. 120, Issue 23 https://doi.org/10.1021/ja980095t	journal	June 1998
Arene-Bridged Diuranium Complexes: Inverted Sandwiches Supported by δ Backbonding Diaconescu, Paula L.; Arnold, Polly L.; Baker, Thomas A. Journal of the American Chemical Society, Vol. 122, Issue 25 https://doi.org/10.1021/ja994484e	journal	June 2000
Arene-Bridged Dithorium Complexes: Inverse Sandwiches Supported by a δ Bonding Interaction Yu, Chao; Liang, Jiefeng; Deng, Chong Journal of the American Chemical Society, Vol. 142, Issue 51 https://doi.org/10.1021/jacs.0c11215	journal	December 2020
A Uranium(II) Arene Complex That Acts as a Uranium(I) Synthon Straub, Mark D.; Ouellette, Erik T.; Boreen, Michael A. Journal of the American Chemical Society, Vol. 143, Issue 47 https://doi.org/10.1021/jacs.1c07854	journal	November 2021
C–H Bond Addition across a Transient Uranium–Nitrido Moiety and Formation of a Parent Uranium Imido Complex Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault Journal of the American Chemical Society, Vol. 140, Issue 36 https://doi.org/10.1021/jacs.8b06090	journal	July 2018
Energy-Degeneracy-Driven Covalency in Actinide Bonding Su, Jing; Batista, Enrique R.; Boland, Kevin S. Journal of the American Chemical Society, Vol. 140, Issue 51 https://doi.org/10.1021/jacs.8b09436	journal	December 2018
Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C. Journal of the American Chemical Society, Vol. 140, Issue 50 https://doi.org/10.1021/jacs.8b10888	journal	November 2018
Synthesis and Reactivity of New Mono(cyclopentadienyl)zirconium and -hafnium Alkyl Complexes. Crystal and Molecular Structure of [{C5H3(SiMe3)2}HfMe2(.eta.6-toluene)][BMe(C6F5)3] Lancaster, Simon J.; Robinson, Oliver B.; Bochmann, Manfred Organometallics, Vol. 14, Issue 5 https://doi.org/10.1021/om00005a049	journal	May 1995
Preparation and structure of [U2(C6Me6)2Cl7]+, the first uranium(IV) complex with a neutral arene in .eta.6-coordination Cotton, F. Albert.; Schwotzer, Willi. Organometallics, Vol. 4, Issue 5 https://doi.org/10.1021/om00124a027	journal	May 1985
Tantalum Alkyl and Silyl Complexes of the Bulky (Terphenyl)imido Ligand [2,6-(2,4,6-Me ₃ C ₆ H ₂ ) ₂ C ₆ H ₃ N] ² ^- ([ArN] ² ^- ). Generation and Reactivity of [(ArN)(Ar*NH)Ta(H)(OSO ₂ CF ₃ )], Which Reversibly Transfers Hydride to an Aromatic Ring of the Arylamide Ligand Gavenonis, John; Tilley, T. Don Organometallics, Vol. 21, Issue 25 https://doi.org/10.1021/om020509y	journal	December 2002
Synthesis, Characterization, and Organometallic Derivatives of Diamidosilyl Ether Thorium(IV) and Uranium(IV) Halide Complexes Jantunen, Kimberly C.; Batchelor, Raymond J.; Leznoff, Daniel B. Organometallics, Vol. 23, Issue 9 https://doi.org/10.1021/om0343115	journal	April 2004
Arene Hapticity in (C₆H₆)Cr(CO)_n (n = 1−5) Complexes: A DFT Study of Singlet and Triplet Energy Surfaces Cohen, Revital; Weitz, Eric; Martin, Jan M. L. Organometallics, Vol. 23, Issue 10 https://doi.org/10.1021/om034367z	journal	April 2004
Extremely Stable Thorium(IV) Dialkyl Complexes Supported by Rigid Tridentate 4,5-Bis(anilido)xanthene and 2,6-Bis(anilidomethyl)pyridine Ligands Cruz, Carlos A.; Emslie, David J. H.; Harrington, Laura E. Organometallics, Vol. 26, Issue 3 https://doi.org/10.1021/om060914f	journal	January 2007
Diamido-Ether Actinide Complexes as Catalysts for the Intramolecular Hydroamination of Aminoalkenes Hayes, Cassandra E.; Platel, Rachel H.; Schafer, Laurel L. Organometallics, Vol. 31, Issue 19 https://doi.org/10.1021/om300410h	journal	September 2012
Electronic and Structural Effects of Low-Hapticity Coordination of Arene Rings to Transition Metals Falceto, Andrés; Carmona, Ernesto; Alvarez, Santiago Organometallics, Vol. 33, Issue 22 https://doi.org/10.1021/om5009583	journal	October 2014
Lutetium Alkyls Supported by a Dearomatized and Functionalized Terpyridine Ligand: Preparation of Fluorinated Anilide Complexes Masuda, Jason D.; Jantunen, Kimberly C.; Scott, Brian L. Organometallics, Vol. 27, Issue 4 https://doi.org/10.1021/om701076n	journal	January 2008
Cationic Thorium Alkyl Complexes of Rigid NON- and NNN-Donor Ligands: π-Arene Coordination as a Persistent Structural Motif Cruz, Carlos A.; Emslie, David J. H.; Robertson, Craig M. Organometallics, Vol. 28, Issue 6 https://doi.org/10.1021/om800624t	journal	March 2009
Synthesis and Characterization of Group 4 Amide Chloride and Amide Imide Complexes Yu, Xianghua; Chen, Shu-Jian; Wang, Xiaoping Organometallics, Vol. 28, Issue 15 https://doi.org/10.1021/om900070k	journal	July 2009
Attempting to Reduce the Irreducible: Preparation of a Rare Paramagnetic Thorium Species Korobkov, Ilia; Vidjayacoumar, Balamurugan; Gorelsky, Serge I. Organometallics, Vol. 29, Issue 3 https://doi.org/10.1021/om900996n	journal	January 2010
Group 4 Metal Amido Fluorides and Chlorides: Molecular Structures and the First Comparison in Ethylene Polymerization Catalysis Shah, Syed A. A.; Dorn, Hendrik; Voigt, Andreas Organometallics, Vol. 15, Issue 14 https://doi.org/10.1021/om960177v	journal	January 1996
Accessing five oxidation states of uranium in a retained ligand framework Deng, Chong; Liang, Jiefeng; Sun, Rong Nature Communications, Vol. 14, Issue 1 https://doi.org/10.1038/s41467-023-40403-w	journal	August 2023
Structural variation in copper( i ) complexes with pyridylmethylamide ligands: structural analysis with a new four-coordinate geometry index, τ ₄ Yang, Lei; Powell, Douglas R.; Houser, Robert P. Dalton Trans., Issue 9 https://doi.org/10.1039/B617136B	journal	January 2007
Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C–H activation Laskowski, C. A.; Morello, G. R.; Saouma, C. T. Chem. Sci., Vol. 4, Issue 1 https://doi.org/10.1039/C2SC21345A	journal	January 2013
Switchable π-coordination and C–H metallation in small-cavity macrocyclic uranium and thorium complexes Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C. Chem. Sci., Vol. 5, Issue 2 https://doi.org/10.1039/C3SC52072B	journal	January 2014
Arene-ligated heteroleptic terphenolate complexes of thorium McKinven, Jamie; Nichol, Gary S.; Arnold, Polly L. Dalton Trans., Vol. 43, Issue 46 https://doi.org/10.1039/C4DT02995J	journal	January 2014
Synthesis of divalent ytterbium terphenylamide and catalytic application for regioselective hydrosilylation of alkenes Shi, Yinghua; Li, Jianfeng; Cui, Chunming Dalton Transactions, Vol. 46, Issue 33 https://doi.org/10.1039/C7DT01837A	journal	January 2017
Chemical bonding analysis of excited states using the adaptive natural density partitioning method Tkachenko, Nikolay V.; Boldyrev, Alexander I. Physical Chemistry Chemical Physics, Vol. 21, Issue 18 https://doi.org/10.1039/C9CP00379G	journal	January 2019
Synthesis and structural characterization of arsinoamides – early transition metal (Zr and Hf) and main group metal (Al, In, Sn, and Pb) complexes Chen, Xiao; Gamer, Michael T.; Roesky, Peter W. Dalton Transactions, Vol. 48, Issue 40 https://doi.org/10.1039/C9DT03472B	journal	January 2019
Construction of heterometallic clusters with multiple uranium–metal bonds by using dianionic nitrogen–phosphorus ligands Feng, Genfeng; McCabe, Karl N.; Wang, Shuao Chemical Science, Vol. 11, Issue 29 https://doi.org/10.1039/D0SC00389A	journal	January 2020
Actinide arene-metalates: ion pairing effects on the electronic structure of unsupported uranium–arenide sandwich complexes Murillo, Jesse; Bhowmick, Rina; Harriman, Katie L. M. Chemical Science, Vol. 12, Issue 40 https://doi.org/10.1039/D1SC03275E	journal	January 2021
Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S. Chemical Science, Vol. 13, Issue 46 https://doi.org/10.1039/D2SC04302E	journal	January 2022
Synthesis, structure, and spectroscopic properties of copper( II ) compounds containing nitrogen–sulphur donor ligands; the crystal and molecular structure of aqua[1,7-bis(N-methylbenzimidazol-2′-yl)-2,6-dithiaheptane]copper( II ) perchlorate Addison, Anthony W.; Rao, T. Nageswara; Reedijk, Jan J. Chem. Soc., Dalton Trans., Issue 7 https://doi.org/10.1039/DT9840001349	journal	January 1984
The Mayer bond order as a tool in inorganic chemistry† Bridgeman, Adam J.; Cavigliasso, Germán; Ireland, Luke R. Journal of the Chemical Society, Dalton Transactions, Issue 14 https://doi.org/10.1039/b102094n	journal	January 2001
Deactivation pathways of ethylene polymerization catalysts derived from titanium and zirconium 1,3-bis(furyl)-1,1,3,3-tetramethyldisilazide complexes Evans, Lloyd T. J.; Coles, Martyn P.; Geoffrey, F. Dalton Transactions, Issue 25 https://doi.org/10.1039/b704625a	journal	January 2007
”Developing paradigms of chemical bonding: adaptive natural density partitioning Zubarev, Dmitry Yu.; Boldyrev, Alexander I. Physical Chemistry Chemical Physics, Vol. 10, Issue 34 https://doi.org/10.1039/b804083d	journal	January 2008
Synthesis and structure of early transition metal NHC complexes Lorber, Christian; Vendier, Laure Dalton Transactions, Issue 35 https://doi.org/10.1039/b905056f	journal	January 2009
Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe Martin, Jan M. L.; Sundermann, Andreas The Journal of Chemical Physics, Vol. 114, Issue 8 https://doi.org/10.1063/1.1337864	journal	February 2001
Valence basis sets for relativistic energy-consistent small-core actinide pseudopotentials Cao, Xiaoyan; Dolg, Michael; Stoll, Hermann The Journal of Chemical Physics, Vol. 118, Issue 2 https://doi.org/10.1063/1.1521431	journal	January 2003
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions Krishnan, R.; Binkley, J. S.; Seeger, R. The Journal of Chemical Physics, Vol. 72, Issue 1 https://doi.org/10.1063/1.438955	journal	January 1980
Rationale for mixing exact exchange with density functional approximations Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985 https://doi.org/10.1063/1.472933	journal	December 1996
Dichlorobis(dibenzylamino)bis(tetrahydrofuran)zirconium(IV) toluene hemisolvate Henderson, Kenneth W.; Kennedy, Alan R.; McKeown, Arlene E. Acta Crystallographica Section C Crystal Structure Communications, Vol. 57, Issue 6 https://doi.org/10.1107/S0108270101003559	journal	June 2001
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides Shannon, R. D. Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767 https://doi.org/10.1107/S0567739476001551	journal	September 1976

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