Distribution of electron density and internal rotation in phospha-alkenes according to data from quantum-chemical calculations by the MNDO method.
Autor: | Boldeskul, I., Pen'kovskii, V., Povolotskii, M. |
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Zdroj: | Theoretical & Experimental Chemistry; Nov1987, Vol. 23 Issue 6, p679-682, 4p |
Abstrakt: | A quantum-chemical investigation of the characteristics of the phosphorus-carbon bond and the internal rotation around it in phospha-alkenes has been carried out in the MNDO approximation. The results of the calculation have been compared with experimental dynamic H NMR data. [ABSTRACT FROM AUTHOR] |
Databáze: | Complementary Index |
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