A generalized relationship has been employed to correlate P=O and P=S bond stretching frequencies with molecular electronic structures for organophosphorus compounds. The calculated results are in good agreement with the available experimental data. The standard deviations are only 3.7 and 5.4 cm-1 for the P=O and P=S bonds, respectively.
|Number of pages||19|
|Journal||Phosphorus, Sulfur and Silicon and Related Elements|
|State||Published - 2000|
Bibliographical noteFunding Information:
* This project was supported by the Fundation of the State Education Commission of China. I Corresponding author. Present address: Pacific Northwest National Laboratory, Bat-telle-Northwest. Mailstop K2-21, Richland, WA 99352,U SA.
- Correlation analysis
- Maximum bond order hybrid orbital
- Organophosphorus compound
- P=O bond stretching frequency
- P=S bond stretching frequency
ASJC Scopus subject areas
- Organic Chemistry
- Inorganic Chemistry