Single N-C bond becomes shorter than a formally double N=C bond in a thiazete-1,1-dioxide crystal: An experimental and theoretical study of strong crystal field effects

Crystal Growth and Design

Volumn 14, Issue 9, 2014, Pages 4418-4429

  Lo Presti, Leonardo ^a,b,c   Orlando, Ahmed M ^a,b   Loconte, Laura ^a   Destro, Riccardo ^a,c   Ortoleva, Emanuele ^a   Soave, Raffaella ^c   Gatti, Carlo ^b,c  

^a UNIVERSITY OF MILAN   (Italy)

^b AARHUS UNIVERSITY   (Denmark)

^c CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULES; QUANTUM THEORY; SULFUR DIOXIDE; TOPOLOGY; X RAY DIFFRACTION;

BOND LENGTH ALTERNATION; CHARGE DENSITY DISTRIBUTIONS; CRYSTAL FIELD EFFECTS; ELECTRON DELOCALIZATION; QUANTUM MECHANICAL SIMULATIONS; QUANTUM THEORY OF ATOMS IN MOLECULES; SINGLE CRYSTAL X-RAY DIFFRACTION; TOPOLOGICAL DESCRIPTORS;

SINGLE CRYSTALS;

EID: 84906875316     PISSN: 15287483     EISSN: 15287505     Source Type: Journal    
DOI: 10.1021/cg500518a     Document Type: Article

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