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Geometries and molecular properties of phosphaethyne cations |
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| Authors: | F. T. Chau Y. W. Tang X. Song |
| Affiliation: | a Department of Applied Biology and Chemical Technology, Hong Kong Polytechnic, Hung Horn Hong Kong b Department of Chemistry, Tsinghua University, Tsinghua Yuan, Beijing 100084 People's Republic of China |
| Abstract: | Franck-Condon analyses were carried out on vibrational intensity distributions of the first two photoelectron bands of phosphaethyne (HCP). The CH and CP bond lengths of HCP+ were found to be respectively 1.073 Å and 1.600 A in the X2π state and 1.077 Å and 1.572 Å in the A2Σ+ state. The calculated structural parameters were compared with those from experimental work and molecular orbital calculations. In addition, force constants for the first two lowest energy ionic states were determined from observed vibrational frequencies. Bonding properties of the ions are discussed in the light of the molecular parameters obtained. |
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