Molecular crystal structure and electron density distribution in the crystal of pentaethyl-1,5-dicarba-closo-pentaborane [C2B3(Et)5] at 120 K

Journal of the American Chemical Society

Volumn 119, Issue 2, 1997, Pages 326-333

  Antipin, Mikhael ^b   Boese, Roland ^a   Bläser, Dieter ^a   Maulitz, Andreas ^a  

^a UNIVERSITY OF DUISBURG ESSEN   (Germany)

^b A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ORGANOBORON DERIVATIVE;

ARTICLE; CRYSTALLOGRAPHY; DRUG STRUCTURE;

EID: 0031041721     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja961884i     Document Type: Article

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46. -) using an ab initio (MP2) approximation. The results of these calculations together with the natural bond orbital analysis showed large cage delocalization (nonclassical bonding contribution) in these molecules which is in accord with our finding.
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