Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1304908 | Inorganic Chemistry Communications | 2007 | 4 Pages |
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/6-31Gâ level, quantum theory - atoms-in-molecules indicates direct Pâ¯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
Authors
Markku R. Sundberg, Rolf Uggla, Clara Viñas, Francesc Teixidor, Sari Paavola, Raikko Kivekäs,