The spectroscopy of MnH

Stephen R. Langhoff, Charles W. Bauschlicher, Alistair P. Rendell

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

The low-lying quintet and septet states of MnH have been studied using the state-averaged CASSCF MRCI method. Our study focuses on the A7Π-X7Σ+, c5Σ+-a5Σ+, and b5Π-a5Σ+ band systems, which almost certainly correspond to the 566-, 847-, and 939-nm band systems observed in emission. The radiative lifetimes for the v′ = 0 level of the A7Π, b5Π, and c5Σ+ states are 96.6 ns and 3.2 and 0.39 μs, respectively. Although the CASSCF calculations are not inconsistent with the assignment of the 480-nm band system to a 5Π-a5Σ+ transition, they indicate the existence of a stronger 5Σ+-a5Σ+ transition in the same energy region. The calculations also show that the quintet spectrum above 20 000 cm-1 is very complicated.

Original languageEnglish
Pages (from-to)108-122
Number of pages15
JournalJOURNAL OF MOLECULAR SPECTROSCOPY
Volume138
Issue number1
DOIs
Publication statusPublished - Nov 1989
Externally publishedYes

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