Electronic And Infrared Spectroscopy Of Benzene-(H2s)(N) (N=1 And 2): The Prototype Of The Sh-Pi Interaction

JOURNAL OF PHYSICAL CHEMISTRY A(2019)

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摘要
Benzene-(H2S)(n) (n = 1 and 2) clusters are the simplest prototype exemplifying the SH-pi interaction. Electronic and infrared spectroscopies were applied to the benzene(H2S)(n) clusters under the molecular beam condition. The S-1-S-0 electronic spectrum was observed by one-color resonant two-photon ionization combined with mass spectrometry. Ionization depletion infrared spectra were also observed in the CH and SH stretch regions. The isomer-selective infrared spectra demonstrated that at least two isomers of n = 1 coexist under the present beam condition, and both of them have the SH-pi bound structures. One isomer showed a red-shift in the S-1-S-0 electronic transition relative to that of bare benzene, while the electronic transition of another isomer was slightly blue-shifted. For n = 2, we confirmed a structure, in which hydrogen-bonded H2S dimer is located on top of the aromatic ring.
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