Magnetic Circular Dichroism and Absorption Spectra of Methylidyne in a Krypton Matrix
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- 作者：Jeremy J. Harrison ; Bryce E. Williamson
- 刊名：Journal of Physical Chemistry A
- 出版年：2011
- 出版时间：August 11, 2011
- 年：2011
- 卷：115
- 期：31
- 页码：8643-8649
- 全文大小：971K
- 年卷期：v.115,no.31(August 11, 2011)
- ISSN：1520-5215
文摘
Electronic absorption and magnetic circular dichroism spectra are reported for the A2螖, B2危鈥?/sup>, and C2危+ 鈫?X2螤 transitions of methylidyne radicals isolated in a Kr matrix at cryogenic temperatures. The results are interpreted in the framework of a model in which the X2螤 term is split by combination of spin鈥搊rbit and crystal-field interactions with the atoms of the host matrix. Analysis of the zeroth moments of the spectra yields an empirical spin-orbit coupling constant A螤 = 11 卤 2 cm鈥? and orbital reduction factor 魏 = 0.26 卤 0.05, corresponding to a crystal-field splitting of V螤 = 43 卤 10 cm鈥? for the X2螤 term. For the A2螖 excited-state term, analysis of the first MCD moments gives a spin鈥搊rbit coupling constant of A螖 = 4.4 卤 0.9 cm鈥?.