skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: A probe of steric ligand substituent effects on the spin crossover of Fe( ii ) complexes

Journal Article · · Inorganic Chemistry Frontiers (Online)
DOI:https://doi.org/10.1039/C7QI00347A· OSTI ID:1417679
 [1]; ORCiD logo [2];  [1];  [1];  [3]; ORCiD logo [4]; ORCiD logo [1]
  1. Departament de Química Inorgànica i Orgànica and IN2UB, Universitat de Barcelona, 08028 Barcelona, Spain
  2. Laboratoire de Chimie Quantique, UMR 7177, CNRS-Université de Strasbourg, F-67000 Strasbourg, France
  3. Advanced Light Source, Berkeley Laboratory, Berkeley, USA
  4. Instituto de Ciencia de Materiales de Aragón (ICMA), CSIC and Universidad de Zaragoza, 50009 Zaragoza, Spain
+ Show Author Affiliations

Ligand substituents modulate the SCO temperature of Fe( ii ) complexes through intramolecular non-covalent interactions.

Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-05CH11231
OSTI ID:
1417679
Journal Information:
Inorganic Chemistry Frontiers (Online), Journal Name: Inorganic Chemistry Frontiers (Online) Vol. 4 Journal Issue: 8; ISSN 2052-1553
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English
Citation Metrics:
Cited by: 25 works
Citation information provided by
Web of Science

References (57)

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
Designed intramolecular blocking of the spin crossover of an Fe( ii ) complex journal January 2016
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
Magnetic Observation of Anion Binding in Iron Coordination Complexes: Toward Spin-Switching Chemosensors journal January 2009
Halogen Substitution Effects on N 2 O Schiff Base Ligands in Unprecedented Abrupt Fe II Spin Crossover Complexes journal May 2017
A Unified Treatment of the Relationship Between Ligand Substituents and Spin State in a Family of Iron(II) Complexes journal March 2016
Reversible quantitative guest sensing via spin crossover of an iron( ii ) triazole journal January 2016
Steric and Electronic Control of the Spin State in Three-Fold Symmetric, Four-Coordinate Iron(II) Complexes journal September 2014
A Trinuclear Defect-Grid Iron(II) Spin Crossover Complex with a Large Hysteresis Loop that is Readily Silenced by Solvent Vapor journal May 2014
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
Substituent effect of the coordinated pyridine in a series of pyrazolato bridged dinuclear diiron(ii) complexes on the spin-crossover behavior journal January 2005
Thermal and Optical Switching of Iron(II) Complexes journal November 1994
Periodic boundary conditions in ab initio calculations journal February 1995
Paramagnetic Susceptibility by NMR: The "Solvent Correction" Reexamined journal January 1995
Spin crossover phenomena in Fe(ii) complexes journal January 2000
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators journal August 1995
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
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
Calorimetric Investigation of Triazole-Bridged Fe(II) Spin-Crossover One-Dimensional Materials: Measuring the Cooperativity journal March 2011
Iron Spin-Crossover compounds: from fundamental studies to practical applications journal January 2009
400. The determination of the paramagnetic susceptibility of substances in solution by nuclear magnetic resonance journal January 1959
Synthesis and Characterisation of a New Series of Bistable Iron(II) Spin-Crossover 2D Metal-Organic Frameworks journal September 2009
Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence journal December 2014
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
SHELXT – Integrated space-group and crystal-structure determination journal January 2015
Spin crossover active iron(II) complexes of selected pyrazole-pyridine/pyrazine ligands journal January 2011
Simulation of Heme Using DFT + U:  A Step toward Accurate Spin-State Energetics journal June 2007
Tuning the Transition Temperature and Cooperativity of bapbpy-Based Mononuclear Spin-Crossover Compounds: Interplay between Molecular and Crystal Engineering journal December 2011
Electronic Effects of Ligand Substitution on Spin Crossover in a Series of Diiminoquinonoid-Bridged Fe II 2 Complexes journal December 2014
Dramatic Remote Substitutent Effects on the Electronic Spin State of Bis(scorpionate) Iron(II) Complexes journal October 2008
Polymorphism in spin-crossover systems journal January 2012
Disclosing the Ligand- and Solvent-Induced Changes on the Spin Transition and Optical Properties of Fe(II)-Indazolylpyridine Complexes journal February 2016
Update 1 of: Calorimetric Investigation of Phase Transitions Occurring in Molecule-Based Magnets journal November 2012
Different Spin-State Behaviors in Isostructural Solvates of a Molecular Iron(II) Complex journal December 2015
Spin state switching in iron coordination compounds journal January 2013
Spin state switching in 2,6-bis(pyrazol-3-yl)pyridine (3-bpp) based Fe(II) complexes journal June 2014
Control of the spin state of Fe(II) 2,6-di(pyrazol-1-yl)pyridine complexes by distal ligand substitution journal May 2002
Towards an accurate and computationally-efficient modelling of Fe( ii )-based spin crossover materials journal January 2015
Crystal structure refinement with SHELXL journal January 2015
Three-Way Crystal-to-Crystal Reversible Transformation and Controlled Spin Switching by a Nonporous Molecular Material
  • Costa, José Sánchez; Rodríguez-Jiménez, Santiago; Craig, Gavin A.
  • Journal of the American Chemical Society, Vol. 136, Issue 10 https://doi.org/10.1021/ja411595y
journal February 2014
Co( ii ) molecular complexes as a reference for the spin crossover in Fe( ii ) analogues journal January 2002
Non-Porous Iron(II)-Based Sensor: Crystallographic Insights into a Cycle of Colorful Guest-Induced Topotactic Transformations journal October 2016
Photo-induced spin-transition: the role of the iron(II) environment distortion journal January 2005
The Effect of Ligand Design on Metal Ion Spin State—Lessons from Spin Crossover Complexes journal May 2016
Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands journal April 2016
Substituent effects on the spin equilibrium observed with hexadentate ligands on iron(II) journal April 1975
Semiempirical GGA-type density functional constructed with a long-range dispersion correction journal January 2006
Crystallography and spin-crossover. A view of breathing materials journal January 2014
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism journal April 1990
Anion-dependent spin crossover in solution for an iron(ii) complex of a 1H-pyrazolyl ligand journal January 2014
Molecular spin crossover phenomenon: recent achievements and prospects journal January 2011
Structure:function relationships in molecular spin-crossover complexes journal January 2011
Influence of Sample Preparation, Temperature, Light, and Pressure on the Two-Step Spin Crossover Mononuclear Compound [Fe(bapbpy)(NCS) 2 ] journal March 2009
PLATON SQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors journal January 2015
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
Spin state modulation of iron spin crossover complexes via hydrogen-bonding self-assembly journal January 2013
Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds journal September 2011

Similar Records

Ligand field and intermolecular interactions tuning the magnetic properties of spin-crossover Fe(II) polymer with 4,4′-bipyridine
Journal Article · Sun Feb 15 00:00:00 EST 2015 · Journal of Solid State Chemistry · OSTI ID:1417679
+3 more
Ruthenium Bis-diimine Complexes with a Chelating Thioether Ligand: Delineating 1,10-Phenanthrolinyl and 2,2'-Bipyridyl Ligand Substituent Effects
Journal Article · Mon Jan 06 00:00:00 EST 2014 · Inorganic Chemistry · OSTI ID:1417679
+1 more
Spin crossover and solvate effects in 1D Fe{sup II} chain compounds containig Bis(dipyridylamine)-linked triazine ligands.
Journal Article · Tue Mar 01 00:00:00 EST 2011 · Eur. J. Inorg. Chem. · OSTI ID:1417679
+7 more

Related Subjects