A probe of steric ligand substituent effects on the spin crossover of Fe( ii ) complexes
Abstract
Ligand substituents modulate the SCO temperature of Fe( ii ) complexes through intramolecular non-covalent interactions.
- Authors:
-
- Departament de Química Inorgànica i Orgànica and IN2UB, Universitat de Barcelona, 08028 Barcelona, Spain
- Laboratoire de Chimie Quantique, UMR 7177, CNRS-Université de Strasbourg, F-67000 Strasbourg, France
- Advanced Light Source, Berkeley Laboratory, Berkeley, USA
- Instituto de Ciencia de Materiales de Aragón (ICMA), CSIC and Universidad de Zaragoza, 50009 Zaragoza, Spain
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1417679
- Grant/Contract Number:
- AC02-05CH11231
- Resource Type:
- Published Article
- Journal Name:
- Inorganic Chemistry Frontiers
- Additional Journal Information:
- Journal Name: Inorganic Chemistry Frontiers Journal Volume: 4 Journal Issue: 8; Journal ID: ISSN 2052-1553
- Publisher:
- Royal Society of Chemistry (RSC)
- Country of Publication:
- United Kingdom
- Language:
- English
Citation Formats
Bartual-Murgui, C., Vela, S., Darawsheh, M., Diego, R., Teat, S. J., Roubeau, O., and Aromí, G. A probe of steric ligand substituent effects on the spin crossover of Fe( ii ) complexes. United Kingdom: N. p., 2017.
Web. doi:10.1039/C7QI00347A.
Bartual-Murgui, C., Vela, S., Darawsheh, M., Diego, R., Teat, S. J., Roubeau, O., & Aromí, G. A probe of steric ligand substituent effects on the spin crossover of Fe( ii ) complexes. United Kingdom. https://doi.org/10.1039/C7QI00347A
Bartual-Murgui, C., Vela, S., Darawsheh, M., Diego, R., Teat, S. J., Roubeau, O., and Aromí, G. Sun .
"A probe of steric ligand substituent effects on the spin crossover of Fe( ii ) complexes". United Kingdom. https://doi.org/10.1039/C7QI00347A.
@article{osti_1417679,
title = {A probe of steric ligand substituent effects on the spin crossover of Fe( ii ) complexes},
author = {Bartual-Murgui, C. and Vela, S. and Darawsheh, M. and Diego, R. and Teat, S. J. and Roubeau, O. and Aromí, G.},
abstractNote = {Ligand substituents modulate the SCO temperature of Fe( ii ) complexes through intramolecular non-covalent interactions.},
doi = {10.1039/C7QI00347A},
journal = {Inorganic Chemistry Frontiers},
number = 8,
volume = 4,
place = {United Kingdom},
year = {2017},
month = {1}
}
Free Publicly Available Full Text
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https://doi.org/10.1039/C7QI00347A
https://doi.org/10.1039/C7QI00347A
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Cited by: 6 works
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Works referenced in this record:
A structural, magnetic and Mössbauer spectroscopic study of an unusual angular Jahn–Teller distortion in a series of high-spin iron( ii ) complexes
journal, January 2005
- Elhaïk, Jérôme; Evans, David J.; Kilner, Colin A.
- Dalton Trans., Issue 9
Designed intramolecular blocking of the spin crossover of an Fe( ii ) complex
journal, January 2016
- Bartual-Murgui, C.; Vela, S.; Roubeau, O.
- Dalton Transactions, Vol. 45, Issue 36
Syntheses and structures of copper complexes of 3-(6-(1H-pyrazol-1-yl)pyridin-2-yl)pyrazol-1-ide and their excellent performance in the syntheses of nitriles and aldehydes
journal, January 2014
- Tan, Da-Wei; Xie, Jing-Bo; Li, Qi
- Dalton Transactions, Vol. 43, Issue 37
Magnetic Observation of Anion Binding in Iron Coordination Complexes: Toward Spin-Switching Chemosensors
journal, January 2009
- Ni, Zhaoping; Shores, Matthew P.
- Journal of the American Chemical Society, Vol. 131, Issue 1
Halogen Substitution Effects on N 2 O Schiff Base Ligands in Unprecedented Abrupt Fe II Spin Crossover Complexes
journal, May 2017
- Phonsri, Wasinee; Macedo, David S.; Vignesh, Kuduva R.
- Chemistry - A European Journal, Vol. 23, Issue 29
A Unified Treatment of the Relationship Between Ligand Substituents and Spin State in a Family of Iron(II) Complexes
journal, March 2016
- Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Mohammed, Rufeida
- Angewandte Chemie International Edition, Vol. 55, Issue 13
Reversible quantitative guest sensing via spin crossover of an iron( ii ) triazole
journal, January 2016
- Miller, Reece G.; Brooker, Sally
- Chemical Science, Vol. 7, Issue 4
Steric and Electronic Control of the Spin State in Three-Fold Symmetric, Four-Coordinate Iron(II) Complexes
journal, September 2014
- Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.
- Journal of the American Chemical Society, Vol. 136, Issue 38
A Trinuclear Defect-Grid Iron(II) Spin Crossover Complex with a Large Hysteresis Loop that is Readily Silenced by Solvent Vapor
journal, May 2014
- Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian
- Angewandte Chemie International Edition, Vol. 53, Issue 24
Lattice-Solvent Effects in the Spin-Crossover of an Fe(II)-Based Material. The Key Role of Intermolecular Interactions between Solvent Molecules
journal, March 2017
- Fumanal, Maria; Jiménez-Grávalos, Fernando; Ribas-Arino, Jordi
- Inorganic Chemistry, Vol. 56, Issue 8
Substituent effect of the coordinated pyridine in a series of pyrazolato bridged dinuclear diiron(ii) complexes on the spin-crossover behavior
journal, January 2005
- Nakano, Keisaku; Suemura, Naohiko; Yoneda, Ko
- Dalton Transactions, Issue 4
Thermal and Optical Switching of Iron(II) Complexes
journal, November 1994
- Gütlich, Philipp; Hauser, Andreas; Spiering, Hartmut
- Angewandte Chemie International Edition in English, Vol. 33, Issue 20
Periodic boundary conditions in ab initio calculations
journal, February 1995
- Makov, G.; Payne, M. C.
- Physical Review B, Vol. 51, Issue 7
Paramagnetic Susceptibility by NMR: The "Solvent Correction" Reexamined
journal, January 1995
- Grant, Douglas H.
- Journal of Chemical Education, Vol. 72, Issue 1
Spin crossover phenomena in Fe(ii) complexes
journal, January 2000
- Gütlich, Philipp; Garcia, Yann; Goodwin, Harold A.
- Chemical Society Reviews, Vol. 29, Issue 6
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995
- Liechtenstein, A. I.; Anisimov, V. I.; Zaanen, J.
- Physical Review B, Vol. 52, Issue 8
Local Coordination Geometry and Spin State in Novel Fe II Complexes with 2,6-Bis(pyrazol-3-yl)pyridine-Type Ligands as Controlled by Packing Forces: Structural Correlations
journal, August 2012
- Craig, Gavin A.; Costa, José Sánchez; Roubeau, Olivier
- Chemistry - A European Journal, Vol. 18, Issue 37
A Sequential Method to Prepare Polymorphs and Solvatomorphs of [Fe(1,3-bpp) 2 ](ClO 4 ) 2 ⋅ n H 2 O ( n =0, 1, 2) with Varying Spin-Crossover Behaviour
journal, August 2016
- Bartual-Murgui, Carlos; Codina, Carlota; Roubeau, Olivier
- Chemistry - A European Journal, Vol. 22, Issue 36
Calorimetric Investigation of Triazole-Bridged Fe(II) Spin-Crossover One-Dimensional Materials: Measuring the Cooperativity
journal, March 2011
- Roubeau, Olivier; Castro, Miguel; Burriel, Ramón
- The Journal of Physical Chemistry B, Vol. 115, Issue 12
Iron Spin-Crossover compounds: from fundamental studies to practical applications
journal, January 2009
- Gamez, Patrick; Costa, José Sánchez; Quesada, Manuel
- Dalton Transactions, Issue 38
400. The determination of the paramagnetic susceptibility of substances in solution by nuclear magnetic resonance
journal, January 1959
- Evans, D. F.
- Journal of the Chemical Society (Resumed)
Synthesis and Characterisation of a New Series of Bistable Iron(II) Spin-Crossover 2D Metal-Organic Frameworks
journal, September 2009
- Martínez, Víctor; Gaspar, Ana Belén; Muñoz, M. Carmen
- Chemistry - A European Journal, Vol. 15, Issue 41
Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence
journal, December 2014
- Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal
- Inorganic Chemistry, Vol. 54, Issue 2
Spin Crossover in a Series of Iron(II) Complexes of 2-(2-Alkyl-2 H -tetrazol-5-yl)-1,10-phenanthroline: Effects of Alkyl Side Chain, Solvent, and Anion
journal, April 2007
- Zhang, Wen; Zhao, Fei; Liu, Tao
- Inorganic Chemistry, Vol. 46, Issue 7
SHELXT – Integrated space-group and crystal-structure determination
journal, January 2015
- Sheldrick, George M.
- Acta Crystallographica Section A Foundations and Advances, Vol. 71, Issue 1, p. 3-8
Spin crossover active iron(II) complexes of selected pyrazole-pyridine/pyrazine ligands
journal, January 2011
- Olguín, Juan; Brooker, Sally
- Coordination Chemistry Reviews, Vol. 255, Issue 1-2
Simulation of Heme Using DFT + U: A Step toward Accurate Spin-State Energetics
journal, June 2007
- Scherlis, Damián A.; Cococcioni, Matteo; Sit, Patrick
- The Journal of Physical Chemistry B, Vol. 111, Issue 25, p. 7384-7391
Tuning the Transition Temperature and Cooperativity of bapbpy-Based Mononuclear Spin-Crossover Compounds: Interplay between Molecular and Crystal Engineering
journal, December 2011
- Arcis-Castíllo, Zulema; Zheng, Sipeng; Siegler, Maxime A.
- Chemistry - A European Journal, Vol. 17, Issue 52
Electronic Effects of Ligand Substitution on Spin Crossover in a Series of Diiminoquinonoid-Bridged Fe II 2 Complexes
journal, December 2014
- Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David
- Inorganic Chemistry, Vol. 54, Issue 1
Dramatic Remote Substitutent Effects on the Electronic Spin State of Bis(scorpionate) Iron(II) Complexes
journal, October 2008
- Hamon, Paul; Thépot, Jean-Yves; Le Floch, Marie
- Angewandte Chemie International Edition, Vol. 47, Issue 45
Polymorphism in spin-crossover systems
journal, January 2012
- Tao, Jun; Wei, Rong-Jia; Huang, Rong-Bin
- Chem. Soc. Rev., Vol. 41, Issue 2
Disclosing the Ligand- and Solvent-Induced Changes on the Spin Transition and Optical Properties of Fe(II)-Indazolylpyridine Complexes
journal, February 2016
- Vela, Sergi; Gourlaouen, Christophe; Fumanal, Maria
- Magnetochemistry, Vol. 2, Issue 1
Update 1 of: Calorimetric Investigation of Phase Transitions Occurring in Molecule-Based Magnets
journal, November 2012
- Sorai, Michio; Nakazawa, Yasuhiro; Nakano, Motohiro
- Chemical Reviews, Vol. 113, Issue 1
Different Spin-State Behaviors in Isostructural Solvates of a Molecular Iron(II) Complex
journal, December 2015
- Cook, Laurence J. Kershaw; Kulmaczewski, Rafal; Cespedes, Oscar
- Chemistry - A European Journal, Vol. 22, Issue 5
Spin state switching in iron coordination compounds
journal, January 2013
- Gütlich, Philipp; Gaspar, Ana B.; Garcia, Yann
- Beilstein Journal of Organic Chemistry, Vol. 9
Spin state switching in 2,6-bis(pyrazol-3-yl)pyridine (3-bpp) based Fe(II) complexes
journal, June 2014
- Craig, Gavin A.; Roubeau, Olivier; Aromí, Guillem
- Coordination Chemistry Reviews, Vol. 269
Control of the spin state of Fe(II) 2,6-di(pyrazol-1-yl)pyridine complexes by distal ligand substitution
journal, May 2002
- Holland, Joanne M.; Barrett, Simon A.; Kilner, Colin A.
- Inorganic Chemistry Communications, Vol. 5, Issue 5
Towards an accurate and computationally-efficient modelling of Fe( ii )-based spin crossover materials
journal, January 2015
- Vela, Sergi; Fumanal, Maria; Ribas-Arino, Jordi
- Physical Chemistry Chemical Physics, Vol. 17, Issue 25
Crystal structure refinement with SHELXL
journal, January 2015
- Sheldrick, George M.
- Acta Crystallographica Section C Structural Chemistry, Vol. 71, Issue 1, p. 3-8
Three-Way Crystal-to-Crystal Reversible Transformation and Controlled Spin Switching by a Nonporous Molecular Material
journal, February 2014
- Costa, José Sánchez; Rodríguez-Jiménez, Santiago; Craig, Gavin A.
- Journal of the American Chemical Society, Vol. 136, Issue 10
Co( ii ) molecular complexes as a reference for the spin crossover in Fe( ii ) analogues
journal, January 2002
- Guionneau, Philippe; Marchivie, Mathieu; Bravic, Georges
- J. Mater. Chem., Vol. 12, Issue 8
Non-Porous Iron(II)-Based Sensor: Crystallographic Insights into a Cycle of Colorful Guest-Induced Topotactic Transformations
journal, October 2016
- Rodríguez-Jiménez, Santiago; Feltham, Humphrey L. C.; Brooker, Sally
- Angewandte Chemie International Edition, Vol. 55, Issue 48
Photo-induced spin-transition: the role of the iron(II) environment distortion
journal, January 2005
- Marchivie, Mathieu; Guionneau, Philippe; Létard, Jean-François
- Acta Crystallographica Section B Structural Science, Vol. 61, Issue 1
The Effect of Ligand Design on Metal Ion Spin State—Lessons from Spin Crossover Complexes
journal, May 2016
- Halcrow, Malcolm
- Crystals, Vol. 6, Issue 5
Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands
journal, April 2016
- Barrios, Leoní A.; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia
- Inorganic Chemistry, Vol. 55, Issue 9
Substituent effects on the spin equilibrium observed with hexadentate ligands on iron(II)
journal, April 1975
- Hoselton, Mitchell A.; Wilson, Lon J.; Drago, Russell S.
- Journal of the American Chemical Society, Vol. 97, Issue 7
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006
- Grimme, Stefan
- Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
Crystallography and spin-crossover. A view of breathing materials
journal, January 2014
- Guionneau, Philippe
- Dalton Trans., Vol. 43, Issue 2
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
journal, April 1990
- Vanderbilt, David
- Physical Review B, Vol. 41, Issue 11, p. 7892-7895
Anion-dependent spin crossover in solution for an iron(ii) complex of a 1H-pyrazolyl ligand
journal, January 2014
- Barrett, Simon A.; Halcrow, Malcolm A.
- RSC Advances, Vol. 4, Issue 22
Molecular spin crossover phenomenon: recent achievements and prospects
journal, January 2011
- Bousseksou, Azzedine; Molnár, Gábor; Salmon, Lionel
- Chemical Society Reviews, Vol. 40, Issue 6
Structure:function relationships in molecular spin-crossover complexes
journal, January 2011
- Halcrow, Malcolm A.
- Chemical Society Reviews, Vol. 40, Issue 7
Influence of Sample Preparation, Temperature, Light, and Pressure on the Two-Step Spin Crossover Mononuclear Compound [Fe(bapbpy)(NCS) 2 ]
journal, March 2009
- Bonnet, Sylvestre; Molnár, Gábor; Sanchez Costa, José
- Chemistry of Materials, Vol. 21, Issue 6
Phonon coupled cooperative low-spin 1A1high-spin 5T2 transition in [Fe(phen)2(NCS)2] and [Fe(phen)2(NCSe)2] crystals
journal, January 1974
- Sorai, M.; Seki, S.
- Journal of Physics and Chemistry of Solids, Vol. 35, Issue 4
Spin state modulation of iron spin crossover complexes via hydrogen-bonding self-assembly
journal, January 2013
- Young, Michael C.; Liew, Erica; Ashby, Jonathan
- Chemical Communications, Vol. 49, Issue 56
Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds
journal, September 2011
- Wei, Rong-Jia; Tao, Jun; Huang, Rong-Bin
- Inorganic Chemistry, Vol. 50, Issue 17