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OPTICAL STARK SPECTROSCOPY OF RHODIUM CONTAINING MOLECULES: RhN

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/31351

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Title: OPTICAL STARK SPECTROSCOPY OF RHODIUM CONTAINING MOLECULES: RhN
Creators: Steimle, T. C.; Ma, Tongmei; Gengler, Jamie; Wang, Hailing; Wang, Zhong
Issue Date: 2007
Abstract: Rhodium is very important in both the homogeneous and heterogeneous catalytic induced chemical modification of nitrogen containing molecules. The only practical means of gauging the quantitative predictability of either {\it ab initio} and DFT computations used to model catalysis is by a comparison of experimental and predicted properties of bound Rh containging molecules. Here we report on the optical Stark effect in the Q(1) and R(0) lines of the [15.1]1 - $X^1\Sigma^+$ (1,0) band of rhodium mononitride, RhN, which were analyzed to determine the permanent electric dipole moments, $\mu$, for the $X^1\Sigma^+$ (v=0) and [15.1]1 (v=1) states to be 2.43(5)D and 1.75(1)D, respectively. TJe determined dipole moments are compared with predicted values obtained from DFT} Lett. \textbf{421}, 281 (2006).} and an all-electron {\it ab initio} calculation} \textbf{293}, 127 (1997).}. A simple molecular orbital correlation diagram is used to rationalize the relative values of $\mu$ for RhN, isovalent IrN} \textbf{104}, 8183 (1996).} and RhO}(accepted).}. Bonding in the 4{\it d} metal containing nitrides, as revealed from an interpretation of $\mu$, will be presented.
URI: http://hdl.handle.net/1811/31351
Other Identifiers: 2007-FC-05
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