Article ID Journal Published Year Pages File Type
1304908 Inorganic Chemistry Communications 2007 4 Pages PDF
Abstract
Experimental and computational evidence show that there is short intramolecular distance between two phosphorus atoms in 1,2-(diphenylphosphino)-1,2-dicarba-closo-dodecaborane. At the B3LYP/6-31G∗ level, quantum theory - atoms-in-molecules indicates direct P⋯P interaction, while natural bonding orbitals describes it mainly as donor-acceptor interaction between phosphorus electron lone pair and adjacent antibonding P-C(phenyl) orbital.
Related Topics
Physical Sciences and Engineering Chemistry Inorganic Chemistry
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