Time-resolved Diode Laser Spectroscopy of the $\nu_{6}$ Band of the Propargyl Radical

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1994

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Ohio State University

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The $\nu_{6}$ ($CH_{2}$ wagging) fundamental band of the propargyl radical ($CH_{2}C=CH$) was observed by time-resolved infrared diode laser spectroscopy. The propargyl radical was produced by the photolysis of allene $(C_{3}H_{4})$ or propargyl chloride ($ClCH_{3}C-CH$) with 193 nm ArF excimer laser light. More than 120 absorption lines have been assigned to the $v_{6}$ fundamental band of propargyl including $K_{a}=1 \leftarrow 0, 0 \leftarrow 1, 2 -1, 1 \leftarrow 2$, and $3 \leftarrow 4$ subbands. Most of the absorption lines were observed as doublets due to the spin-rotation interaction in the ${^{2}}B_{1}$ ground electronic state. The rotational and spin-rotation constants for the ground state. $A = 288045.5(34), \widetilde{B} = 9365.2766(73), B-C - 316, 30 (23) \varepsilon_{\infty} -544.2(29), \varepsilon_{bb}-11.043(37)$, and $\varepsilon{\infty}=-1.0$ (fixed) MHx, are derived from the diode laser spectrum combined with the $1_{0.1} \leftarrow O_{0.0}$ rotational spectrum by FTMW spectroscopy (1). The vibrational band origin obtained is $687.174.89(63) cm^{-1}$, which is consistent with the infrared spectrum observed in the argon matrix (2). The molecular constants for the $\nu_{6}$ state are largely affected by the $\alpha$-type Coriolis interaction with the $v_{10} (CH_{2}$ rocking) vibration, for example, the rotational and the centrifugal distortion constants A and $\Delta k$ in the $v^{6}$ state change by $-13440(23)$ and $-24.2(21)$ MHz, respectively, from those of the ground state. The figures in parentheses are standard deviation to be attached to the last digit.

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(1) K. Tanaka, Y. Ohshima, and Y. Endo, to be published. (2) M. E. Jacox and D. E. Milligan. Chem. Phys., 4, 45-61 (1974).
Author Institution: Department of Chemistry, Faculty of Science, Kyushu University 33, Hakozaki

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