University of Illinois Urbana-Champaign

Franck-Condon-like patterns observed in the infrared spectra of phenol-alkylsilane dihydrogen-bonded clusters in the excited states

Ishikawa, Haruki

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1462862.pptx
3986.pdf

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https://hdl.handle.net/2142/104412

Description

Title
Franck-Condon-like patterns observed in the infrared spectra of phenol-alkylsilane dihydrogen-bonded clusters in the excited states
Author(s)
Ishikawa, Haruki
Contributor(s)
  • Matsumoto, Yoshiteru
  • Kasahara, Yasutoshi
  • Shimizu, Takutoshi
  • Uchida, Masaaki
Issue Date
2019-06-21
Keyword(s)
Clusters/complexes
Date of Ingest
  • 2019-07-15T22:16:52Z
  • 2020-01-25T19:31:19Z
Abstract
We have been carrying out spectroscopic studies on the Si-H$\cdots$H-O type dihydrogen-bonded clusters. It was revealed that the strength of the Si-H$\cdots$H-O type dihydrogen bond is comparable to that of the dispersion interaction and that the cluster structure is determined by the balance between these two interactions. To examine an effect of a change in the balance between them, we recorded the IR spectra of phenol-alkylsilane clusters in the S$_1$ state. In the course of our study, we found that the OH stretching band profile consists of several bands involving the excitation of the intermolecular vibrational modes. These band profiles are referred to as the Franck-Condon-like patterns. In the case of the phenol-$t$-butyldimethylsilane cluster, the band patterns simulated based on the Franck-Condon factors for the intermolecular vibrational mode have reproduced the observed patterns very well. This behavior indicates the interaction between the OH stretch and intermolecular vibrational modes. On the other hand, the infrared spectra of the electronic excited states of phenol-ethyldimethylsilane dihydrogen-bonded cluster indicate the contribution of two intermolecular vibrational modes. In this case, we analyzed the band pattern involving effects of the Duschinsky rotation as well as the displacements of the equilibrium positions for the $v_{\rm OH}$ = 0 and 1 states. In the present paper, we report the details of the analysis of the Franck-Condon-like patterns.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Permalink
http://hdl.handle.net/2142/104412
DOI
https://doi.org/10.15278/isms.2019.FC04
Copyright and License Information
Copyright 2019 Haruki Ishikawa

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Abstracts & Presentations - 2019 International Symposium on Molecular Spectroscopy PRIMARY