Ab initio spectroscopy and thermochemistry of the platinum hydride ions, PtH+ and PtH

Rovibrational levels of low-lying electronic states of the gas-phase, diatomic molecules, PtH+ and PtH−, are computed on potential-energy functions obtained by using a hybrid spin–orbit configuration-interaction procedure. PtH− has a well-separated Σ 0 + + 1 ground state, while the first two electro...

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Veröffentlicht in:	The Journal of chemical physics 2024-05, Vol.160 (18)
1. Verfasser:	Irikura, Karl K.
Format:	Artikel
Sprache:	eng
Schlagworte:	Computation Diatomic molecules Electron affinity Electron states Energy levels Photodetachment Photodissociation Photoelectrons Rotational spectra Spectroscopy Temperature dependence Thermochemistry
Online-Zugang:	Volltext
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