Infrared spectroscopy of gas phase C3H5+:: The allyl and 2-propenyl cations
Infrared spectroscopy of gas phase C3H5+:: The allyl and 2-propenyl cations
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DOI：
10.1063/1.2828553
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发表时间：
2008-01-14
影响因子：
4.4
通讯作者：
Duncan, Michael A.
中科院分区：
文献类型：
--
作者：
Douberly, Gary E.;Ricks, Allen M.;Duncan, Michael A.
利用红外光解光谱在800-3500 cm（-1）区域用稀有气体标记法探测C3H5+阳离子。在脉冲放电超音速膨胀团簇源中产生离子及其与Ar或N-2的配合物。两种结构异构体，即烯丙基（CH2CHCH2+）和2-丙烯基（CH3CCH2+）阳离子。烯丙基阳离子的红外光谱证实了先前关于C-2v电荷离域、共振稳定结构的理论和凝聚相研究。2-丙烯基阳离子谱符合C-s对称结构，具有近似线性的CCC主链和超共轭稳定甲基。(c) 2008年美国物理研究所。
C3H5+ cations are probed with infrared photodissociation spectroscopy in the 800-3500 cm(-1) region using the method of rare gas tagging. The ions and their complexes with Ar or N-2 are produced in a pulsed electric discharge supersonic expansion cluster source. Two structural isomers are characterized, namely, the allyl (CH2CHCH2+) and 2-propenyl (CH3CCH2+) cations. The infrared spectrum of the allyl cation confirms previous theoretical and condensed phase studies of the C-2v charge delocalized, resonance-stabilized structure. The 2-propenyl cation spectrum is consistent with a C-s symmetry structure having a nearly linear CCC backbone and a hyperconjugatively stabilizing methyl group. (c) 2008 American Institute of Physics.