Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state

Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

Volumn 70, Issue 1, 2014, Pages 181-190

  Molčanov, Krešimir ^a   Babić, Darko ^a   Kojić Prodić, Biserka ^a   Stare, Jernej ^b   Maltar Strmečki, Nadica ^a   Androš, Lidija ^a  

^a RUDER BO KOVI INSTITUTE   (Croatia)

^b NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

density functional theory calculations; diamagnetism; IR spectroscopy; semiquinone radical; spin coupling; thermal analysis; interaction

Indexed keywords

CHEMICAL COMPOUNDS; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; DIAMAGNETISM; DIMERS; ELECTRON SPIN RESONANCE SPECTROSCOPY; INFRARED SPECTROSCOPY; QUANTUM CHEMISTRY; THERMOANALYSIS;

CRYSTALLINE COMPOUNDS; ELECTRON PARAMAGNETIC RESONANCE SPECTROSCOPY; INTERPLANAR SEPARATION; QUANTUM-CHEMICAL CALCULATION; SEMIQUINONE RADICALS; SEPARATION DISTANCES; SPIN COUPLINGS; VAN DER WAALS RADIUS;

NEGATIVE IONS;

EID: 84892765860     PISSN: 20525206     EISSN: 20525192     Source Type: Journal    
DOI: 10.1107/S2052520613027170     Document Type: Article

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