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A theoretical study of the vibrational structure in the transition of PH2

✍ Scribed by S. P. So; W. G. Richards

Publisher
John Wiley and Sons
Year
1977
Tongue
English
Weight
310 KB
Volume
11
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The potential energy curves of the bending mode of PH~2~ in the ground ^2^B~1~ and the excited ^2^A~1~ states have been calculated using ab initio SCF‐MO wave‐functions. The radical is found, in agreement with experiment, to be bent in the two states. The calculated results clarify the interpretations of the anomalous behaviour of observed vibrational intervals, and offer an explanation of the β€˜quasilinearity’; of the radical in the ^2^A~1~ state.

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