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Volume 135, 2007
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Carboranes: chemical concepts derived from the AIM study of the experimental and theoretical electron density distribution functions

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Abstract

On the basis of high-resolution X-ray diffraction studies as well as quantum-chemical calculations of five carborane derivatives the peculiarities of electron density distribution functions have been analyzed. The data obtained permitted a deeper insight into the nature of unusual properties of the C–C bond in o-carborane and investigating intermolecular H⋯H interactions in crystal. It was shown that such an approach allows estimating the values of lattice energy for the crystals of carboranes.

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Article information


Submitted
24 Apr 2006
Accepted
23 Jun 2006
First published
19 Oct 2006

Faraday Discuss., 2007,135, 203-215
Article type
Paper

Carboranes: chemical concepts derived from the AIM study of the experimental and theoretical electron density distribution functions

I. V. Glukhov, K. A. Lyssenko, A. A. Korlyukov and M. Yu. Antipin, Faraday Discuss., 2007, 135, 203
DOI: 10.1039/B605811F

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