Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
HCP+ | Phosphaethyne cation |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.067 | 1966Herzberg | 1 | 2 | |||
rCH | 1.067 | 1966Herzberg | 3 | ||||
rCP | 1.542 | 1966Herzberg | 1 | 3 | |||
rCP | 1.542 | 1966Herzberg | 1 | 2 | |||
aHCP | 180.0 | 1966Herzberg | 2 | 1 | 3 | ||
aHCP | 180.0 | 1966Herzberg | 2 | 1 | 3 | ||
rCH | 1.077 | 2007Sun/Zha:104312 | r0 | 1 | 2 | ||
rCH | 1.077 | 2007Sun/Zha:104312 | r0 | 3 | |||
rCP | 1.601 | 2007Sun/Zha:104312 | 1 | 3 | |||
rCP | 1.601 | 2007Sun/Zha:104312 | 1 | 2 | |||
aHCP | 180.0 | 2007Sun/Zha:104312 | 2 | 1 | 3 | ||
aHCP | 180.0 | 2007Sun/Zha:104312 | 2 | 1 | 3 |
squib | reference |
---|---|
1966Herzberg | Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966 |
2007Sun/Zha:104312 | FX Sunahori, X Zhang, DJ Clouthier "Electronic spectroscopy of jet-cooled HCP+: Molecular structure, phosphorus hyperfine structure, and Renner-Teller analysis" J. Chem. Phys. 127, 104312 (2007) |