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 Title: IR SPECTROSCOPIC STUDY ON PHENOL-TRIETHYLSILANE DIHYDROGEN-BONDED CLUSTER IN THE ELECTRONIC EXCITED STATE Author(s): Ishikawa, Haruki Contributor(s): Matsumoto, Yoshiteru; Kasahara, Yasutoshi; Uchida, Masaaki; Shimizu, Takutoshi Subject(s): Clusters/Complexes Abstract: To reveal detailed characters of the dihydrogen bond at molecular level, we have been carrying out IR spectroscopic study on the Si-H$\cdots$H-O type dihydrogen-bonded clusters\footnote{H.~Ishikawa, A.~Saito, M.~Sugiyama, N.~Mikami, \textit{J. Chem. Phys.} \textbf{123}, 224309 (2005).}$^,$\footnote{H.~Ishikawa, T.~Kawasaki, R.~Inomata, \textit{J. Phys. Chem. A} \textbf{119}, 601 (2015).}. It was found that the structures of the phenol-alkylsilane 1:1 clusters are determined by the competition between the dihydrogen bond and the dispersion interaction in the case of the S$_0$ state of the neutral clusters. On the other hand, the dihydrogen bond exhibit a dominant contribution in the cationic states. Based on these results, it is expected the balance between the dihydrogen bond and the dispersion interaction is expected to change in the S$_1$ state compared with the S$_0$ state. Thus, we have carried out an IR spectroscopic study on the phenol-alkylsilane clusters, in the present study. \par In the present paper, we will report mainly on the results of the phenol-triethylsilane (PhOH-TES) clusters. It is already reported that three isomers appear in the fluorescence excitation spectrum of PhOH-TES. Using the vibronic bands of these isomers as excitation transitions, IR spectra in the S$_1$ state were observed by the UV-IR double resonance technique. All of the isomers exhibit much larger redshifts of the OH stretching band compared with those in the S$_0$ state. It indicates the strengthening of the dihydrogen bond in the S$_1$ state. In addition, all the isomer exhibit Franck-Condon-like patterns. The patterns change by the intermediate vibrational levels selected by the UV transitions. Similar Franck-Condon-like pattern in the IR transition is reported in the literature\footnote{A.~V.~Zabuga, M.~Z.~Kamrath, T.~R.~Rizzo, \textit{J. Phys. Chem. A} \textbf{119}, 10494 (2015).}. This result indicates a strong coupling between the OH stretch and the intermolecular vibrational mode. This coupling is considered to be a characteristic feature in the S$_1$ state. Issue Date: 06/18/18 Publisher: International Symposium on Molecular Spectroscopy Citation Info: APS Genre: Conference Paper / Presentation Type: Text Language: English URI: http://hdl.handle.net/2142/100549 DOI: 10.15278/isms.2018.MK07 Other Identifier(s): MK07 Date Available in IDEALS: 2018-08-172018-12-12
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