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INFRARED DIODE LASER SPECTROSCOPY OF THE ALLYL RADICAL: THE $\nu_{11}$ BAND

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/12869

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Title: INFRARED DIODE LASER SPECTROSCOPY OF THE ALLYL RADICAL: THE $\nu_{11}$ BAND
Creators: Hirota, Eizi; Yamada, Chikashi; Okunishi, Misaki
Issue Date: 1992
Abstract: We generated allyl radicals mainly by the photolysis of 1,5-hexadiene at 193 nm and detected them by observing the $\nu_{IF}$ i.e. $CH_ 2$ symmetric wagging band by infrared diode laser kinetic spectroscopy. The observed spectrum showed clearly the effect of nuclear spin statistical weights, establishing the presence of a $C_{2}^{(b)}$ axis in the molecule. The spin-rotation splitting was not resolved; only some high $K_{a}$ lines were found broader than others, placing an upper limit for the $t_{aa}$ constant at about 200 MHz or kss. The rotational constants derived from the observed spectrum are $A^{\prime}=1.787520$ (74), $B^{\prime}=0.345363$(26), $C^{\prime}=0.290347$ (27), $A^{\prime}=1.801890$ (92), $B^{\prime}=0.346320$ (26), and $C_^{\prime}=0.290219$ (27) in $cm^{-1},$ which indicate that the molecule is essentially planer, the intertial defect is 0.0539 66 and -0.1817 (66) amu{\AA}$^{2}$ for the lower and the upper state, respectively. The C-C bond length and the CCC bond angle were calculated from the ground-state rotational constants to be 1.3869 (33) {\AA} and 123.96 $(48)^{\circ},$ respectively, where structural parameters involving hydrogens were fixed to those of ab inito values.
URI: http://hdl.handle.net/1811/12869
Other Identifiers: 1992-TE-01
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