Infrared spectroscopy and theory of the formaldehyde cation and its hydroxymethylene isomer.
Infrared spectroscopy and theory of the formaldehyde cation and its hydroxymethylene isomer.
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甲醛阳离子及其羟亚甲基异构体的红外光谱和理论。
DOI：
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发表时间：
2016
影响因子：
4.4
通讯作者：
M. Duncan
中科院分区：
文献类型：
--
作者：
D. Mauney;J. D. Mosley;L. Madison;A. McCoy;M. Duncan
在含有不同前驱体（甲醛、甲醇）蒸气的超音速膨胀条件下，脉冲放电产生m/z = 30的阳离子，分子式为[H2，C,O]+。在相同条件下，在膨胀气体中加入氩气可生成相应的[H2，C，O]+ Ar配合物。这些离子在飞行时间光谱仪中进行了质量选择，并用红外激光光解光谱进行了研究。2300-3000 cm-1区域的光谱对由不同前体组成的离子产生非常不同的振动模式。用调和方法和各种形式的非调和理论进行计算研究，可以将这些光谱详细地分配给两个同分异构体。含有甲醛的排放物主要产生相应的甲醛自由基阳离子CH2O+，而含有甲醇的排放物只产生顺式和反式羟基亚甲基阳离子HCOH+。讨论了这些阳离子对星际化学的影响。
Pulsed discharges in supersonic expansions containing the vapor of different precursors (formaldehyde, methanol) produce the m/z = 30 cations with formula [H2,C,O]+. The corresponding [H2,C,O]+ Ar complexes are produced under similar conditions with argon added to the expansion gas. These ions are mass selected in a time-of-flight spectrometer and studied with infrared laser photodissociation spectroscopy. Spectra in the 2300-3000 cm-1 region produce very different vibrational patterns for the ions made from different precursors. Computational studies with harmonic methods and various forms of anharmonic theory allow detailed assignment of these spectra to two isomeric species. Discharges containing formaldehyde produce primarily the corresponding formaldehyde radical cation, CH2O+, whereas those with methanol produce exclusively the cis- and trans-hydroxymethylene cations, HCOH+. The implications for the interstellar chemistry of these cations are discussed.
影响因子：
56.9
作者：
Asvany, Oskar;Yamada, Koichi M. T.;Schlemmer, Stephan
通讯作者：
Schlemmer, Stephan