Molecular beam optical Stark study of rhodium mononitride

Tongmei Ma, Jamie Gengler, Zhong Wang, Hailing Wang, Timothy Steimle

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Abstract

The optical Stark effect in the Q (1) and R (0) lines of the [15.1] 1-X 1∑ + (1,0) band of rhodium mononitride (RhN) were recorded and analyzed to determine the permanent electric dipole moments μ for the X 1∑ + (ν=0) and [15.1] 1 (ν=1) states to be 2.43(5) and 1.75 (1) D, respectively. The determined dipole moments are compared to predicted values obtained from density functional theory [Stevens, Chem. Phys. Lett. 421, 281 (2006)] and an all-electron ab initio calculation [Shim, J. Mol. Struct. THEOCHEM 393, 127 (1997)]. A simple single configuration molecular orbital correlation diagram is used to rationalize the relative values of μ for the 4d mononitrides and RhO. An electronic configuration for the [15.1]1 state is proposed based on the interpretation of the Rh103 and N14 magnetic hyperfine interactions.

Original languageEnglish (US)
Article number244312
JournalJournal of Chemical Physics
Volume126
Issue number24
DOIs
StatePublished - Aug 2 2007

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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