GENERALIZED CORRELATION OF P[dbnd]O AND P[dbnd]S BOND STRETCHING VIBRATIONAL FREQUENCIES WITH ELECTRONIC STRUCTURE IN ORGANOPHOSPHORUS COMPOUNDS

Jian Wan Department of Chemistry, Central China Normal University, Wuhan, 430079, People's Republic of China

Chang-Guo Zhan Department of Chemistry, Central China Normal University, Wuhan, 430079, People's Republic of China; Pacific Northwest National Laboratory, Bat-telle-Northwest, Mailstop K2-21, Richland, WA, 99352, USA

Abstract

A generalized relationship has been employed to correlate P[dbnd]O and P[dbnd]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[dbnd]O and P[dbnd]S bonds, respectively.

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GENERALIZED CORRELATION OF P[dbnd]O AND P[dbnd]S BOND STRETCHING VIBRATIONAL FREQUENCIES WITH ELECTRONIC STRUCTURE IN ORGANOPHOSPHORUS COMPOUNDS

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GENERALIZED CORRELATION OF P[dbnd]O AND P[dbnd]S BOND STRETCHING VIBRATIONAL FREQUENCIES WITH ELECTRONIC STRUCTURE IN ORGANOPHOSPHORUS COMPOUNDS

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