Literature DB >> 12240079

Electronic origin of the structural versatility in linear trichromium complexes of dipyridylamide.

N Benbellat1, M M Rohmer, M Bénard.   

Abstract

Spin unrestricted DFT calculations on Cr3(dpa)4Cl2 (dpa = dipyridylamide) suggest that the linear (Cr3)6+ metal framework could adopt either a symmetric conformation, or a strongly nonsymmetric one, depending on the nature of the spin coupling between the localized metal electrons.

Entities:  

Year:  2001        PMID： 12240079     DOI： 10.1039/b106100n

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  2 in total

1.  Ferromagnetic ground state for a hypothetical iron-based extended metal atom chain.

Authors:  Paweł Szarek; Wojciech Wegner; Wojciech Grochala
Journal:  J Mol Model       Date:  2016-02-24       Impact factor: 1.810

2.  The Origin of Magnetic Anisotropy and Single-Molecule Magnet Behavior in Chromium(II)-Based Extended Metal Atom Chains.

Authors:  Andrea Cornia; Anne-Laure Barra; Vladimir Bulicanu; Rodolphe Clérac; Miguel Cortijo; Elizabeth A Hillard; Rita Galavotti; Alessandro Lunghi; Alessio Nicolini; Mathieu Rouzières; Lorenzo Sorace; Federico Totti
Journal:  Inorg Chem       Date:  2020-01-22       Impact factor: 5.165
  2 in total

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