| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395019 | Computational and Theoretical Chemistry | 2011 | 7 Pages |
Abstract
⺠This study reports the DFT studies on POM-incorporated organometallics. ⺠The structure-property relationship of these polyanions is presented. ⺠The Cpâ-Mo bond features two nonclassical Ï bonds and two Ï bonds. ⺠These polyanions show poor NLO responses in comparison with [Mo6O18NPh]2â.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
â (n = 1 or 2): Revealing bonding features of Cpâ-Mo](/preview/png/5395019.png "First Page Preview: DFT studies on the electronic properties of organometallic-polyoxomolybdate anions [CpnâMo6O19ân](2ân)â (n = 1 or 2): Revealing bonding features of Cpâ-Mo")
Authors
Jian-Ping Wang, Wei Guan, Li-Kai Yan, Zhong-Min Su,