The Jahn-Teller effect in octahedral T Ground states - an experimental and DFT study on MIIIX6 polyhedra [MIII: Ti, V, Co; X: Cl, F] in various solids

Journal of Molecular Structure

Volumn 838, Issue 1-3, 2007, Pages 151-156

  Reinen, Dirk ^a   Atanasov, Mihail ^a,b   Köhler, Peter ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

^b INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Bulgaria)

Author keywords

Binding and structural strains; Density functional theory; Jahn Teller coupling; Octahedral T ground states; Optical spectra

Indexed keywords

COBALT COMPOUNDS; COVALENT BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; EMISSION SPECTROSCOPY; SPECTRUM ANALYSIS; TITANIUM COMPOUNDS;

BINDING STRAIN; JAHN TELLER COUPLING; STRUCTURAL STRAIN; VIBRONIC COUPLING;

GROUND STATE;

EID: 34249278398     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.01.049     Document Type: Article

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