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Title: Manipulation of the molecular spin crossover transition of Fe(H2B(pz)2)2(bipy) by addition of polar molecules

Journal Article · · Journal of Physics. Condensed Matter
 [1]; ORCiD logo [1]; ORCiD logo [2];  [3]; ORCiD logo [4];  [5];  [6];  [1]; ORCiD logo [7];  [7];  [8]; ORCiD logo [9]; ORCiD logo [1]
  1. Univ. of Nebraska, Lincoln, NE (United States). Dept. of Physics and Astronomy
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
  3. Univ. of Strasbourg (France); Univ. Paul Sabatier, Toulouse (France)
  4. Univ. of Strasbourg (France)
  5. Univ. of Nebraska, Lincoln, NE (United States). Dept. of Chemistry
  6. Univ. of Nebraska, Lincoln, NE (United States). Dept. of Chemistry; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry
  7. Univ. of Nebraska, Lincoln, NE (United States). Dept. of Food Science and Technology
  8. Univ. de Strasbourg (France)
  9. Univ. Bayreuth (Germany). Physikalisches Inst.
+ Show Author Affiliations

In this paper, the addition of various dipolar molecules is shown to affect the temperature dependence of the spin state occupancy of the much studied spin crossover Fe(II) complex, [Fe{H2B(pz)2}2(bipy)] (pz = pyrazol-1-yl, bipy = 2,2'-bipyridine). Specifically, the addition of benzimidazole results in a re-entrant spin crossover transition, i.e. the spin state starts in the mostly low spin state, then high spin state occupancy increases, and finally the high spin state occupancy decreases with increasing temperature. This behavior contrasts with that observed when the highly polar ρ-benzoquinonemonoimine zwitterion C6H2(...NH2)2(...O)2 was mixed with [Fe{H2B(pz)2}2(bipy)], which resulted in locking [Fe{H2B(pz)2}2(bipy)] largely into a low spin state while addition of the ethyl derivative C6H2(...NHC2H5)2(...O)2 did not appear to perturb the spin crossover transition of [Fe{H2B(pz)2}2(bipy)].

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); Agence Nationale de la Recherche
Grant/Contract Number:
AC02-05CH11231
OSTI ID:
1635179
Alternate ID(s):
OSTI ID: 23015729
Journal Information:
Journal of Physics. Condensed Matter, Journal Name: Journal of Physics. Condensed Matter Journal Issue: 3 Vol. 32; ISSN 0953-8984
Publisher:
IOP PublishingCopyright Statement
Country of Publication:
United States
Language:
English

References (22)

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A 6π + 6π Potentially Antiaromatic Zwitterion Preferred to a Quinoidal Structure:  Its Reactivity Toward Organic and Inorganic Reagents journal October 2003
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Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs journal December 2012
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Tunable N-substitution in Zwitterionic Benzoquinonemonoimine Derivatives: Metal Coordination, Tandemlike Synthesis of Zwitterionic Metal Complexes, and Supramolecular Structures journal December 2005
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Modification of Molecular Spin Crossover in Ultrathin Films journal March 2013
Complexities in the Molecular Spin Crossover Transition journal June 2015
Locking and Unlocking the Molecular Spin Crossover Transition journal August 2017
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  • Nachimuthu, P.
  • SYNCHROTRON RADIATION INSTRUMENTATION: Eighth International Conference on Synchrotron Radiation Instrumentation, AIP Conference Proceedings https://doi.org/10.1063/1.1757832
conference January 2004
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Reactions of Amines with Zwitterionic Quinoneimines: Synthesis of New Anionic and Zwitterionic Quinonoids journal July 2009
Unprecedented zwitterion in quinonoid chemistryElectronic supplementary information (ESI) available: spectroscopic data for 4 and 6 and an ORTEP view of the structure of 4. See http://www.rsc.org/suppdata/cc/b1/b107828n/. journal January 2002
Excited Spin-State Trapping in Spin Crossover Complexes on Ferroelectric Substrates journal March 2018

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