Carboranes: chemical concepts derived from the AIM study of the experimental and theoretical electron density distribution functions.
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.
Glukhov
I V
IV
A. N. Nesmeyanov Institute of Organoelement compounds RAS, Vavilova Str, 28, 119991 Moscow, Russia. ivglukh@xrlab.ineos.ac.ru
Lyssenko
K A
KA
Korlyukov
A A
AA
Antipin
M Yu
MY