Ionization-induced π → H site-switching in phenol-CH4 complexes studied using IR dip spectroscopy

Mitsuhiko Miyazaki; Akihiro Takeda; Matthias Schmies; Makoto Sakai; Kentaro Misawa; Shun Ichi Ishiuchi; François Michels; Klaus Müller-Dethlefs; Otto Dopfer; Masaaki Fujii

doi:10.1039/C3CP53533A

Ionization-induced π → H site-switching in phenol-CH4 complexes studied using IR dip spectroscopy

Mitsuhiko Miyazaki, Akihiro Takeda, Matthias Schmies, Makoto Sakai, Kentaro Misawa, Shun Ichi Ishiuchi, François Michels, Klaus Müller-Dethlefs, Otto Dopfer, Masaaki Fujii

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Abstract

IR spectra of phenol-CH4 complexes generated in a supersonic expansion were measured before and after photoionization. The IR spectrum before ionization shows the free OH stretching vibration (νOH) and the structure of neutral phenol-CH4 in the electronic ground state (S0) is assigned to a π-bound geometry, in which the CH 4 ligand is located above the phenol ring. The IR spectrum after ionization to the cationic ground state (D0) exhibits a red shifted νOH band assigned to a hydrogen-bonded cationic structure, in which the CH4 ligand binds to the phenolic OH group. In contrast to phenol-Ar/Kr, the observed ionization-induced π → H migration has unity yield for CH4. This difference is attributed to intracluster vibrational energy redistribution processes. © 2014 the Owner Societies.

Original language	English
Pages (from-to)	110-116
Number of pages	6
Journal	Physical Chemistry Chemical Physics
Volume	16
Issue number	1
Early online date	13 Nov 2013
DOIs	https://doi.org/10.1039/C3CP53533A
Publication status	Published - 7 Jan 2014

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title = "Ionization-induced π → H site-switching in phenol-CH4 complexes studied using IR dip spectroscopy",

abstract = "IR spectra of phenol-CH4 complexes generated in a supersonic expansion were measured before and after photoionization. The IR spectrum before ionization shows the free OH stretching vibration (νOH) and the structure of neutral phenol-CH4 in the electronic ground state (S0) is assigned to a π-bound geometry, in which the CH 4 ligand is located above the phenol ring. The IR spectrum after ionization to the cationic ground state (D0) exhibits a red shifted νOH band assigned to a hydrogen-bonded cationic structure, in which the CH4 ligand binds to the phenolic OH group. In contrast to phenol-Ar/Kr, the observed ionization-induced π → H migration has unity yield for CH4. This difference is attributed to intracluster vibrational energy redistribution processes. {\textcopyright} 2014 the Owner Societies.",

author = "Mitsuhiko Miyazaki and Akihiro Takeda and Matthias Schmies and Makoto Sakai and Kentaro Misawa and Ishiuchi, {Shun Ichi} and Fran{\c c}ois Michels and Klaus M{\"u}ller-Dethlefs and Otto Dopfer and Masaaki Fujii",

note = "F.M. was supported by the Fonds National de la Recherche, Luxembourg (AFR/1357660).",

year = "2014",

month = jan,

day = "7",

doi = "10.1039/C3CP53533A",

language = "English",

volume = "16",

pages = "110--116",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

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TY - JOUR

T1 - Ionization-induced π → H site-switching in phenol-CH4 complexes studied using IR dip spectroscopy

AU - Miyazaki, Mitsuhiko

AU - Takeda, Akihiro

AU - Schmies, Matthias

AU - Sakai, Makoto

AU - Misawa, Kentaro

AU - Ishiuchi, Shun Ichi

AU - Michels, François

AU - Müller-Dethlefs, Klaus

AU - Dopfer, Otto

AU - Fujii, Masaaki

N1 - F.M. was supported by the Fonds National de la Recherche, Luxembourg (AFR/1357660).

PY - 2014/1/7

Y1 - 2014/1/7

N2 - IR spectra of phenol-CH4 complexes generated in a supersonic expansion were measured before and after photoionization. The IR spectrum before ionization shows the free OH stretching vibration (νOH) and the structure of neutral phenol-CH4 in the electronic ground state (S0) is assigned to a π-bound geometry, in which the CH 4 ligand is located above the phenol ring. The IR spectrum after ionization to the cationic ground state (D0) exhibits a red shifted νOH band assigned to a hydrogen-bonded cationic structure, in which the CH4 ligand binds to the phenolic OH group. In contrast to phenol-Ar/Kr, the observed ionization-induced π → H migration has unity yield for CH4. This difference is attributed to intracluster vibrational energy redistribution processes. © 2014 the Owner Societies.

AB - IR spectra of phenol-CH4 complexes generated in a supersonic expansion were measured before and after photoionization. The IR spectrum before ionization shows the free OH stretching vibration (νOH) and the structure of neutral phenol-CH4 in the electronic ground state (S0) is assigned to a π-bound geometry, in which the CH 4 ligand is located above the phenol ring. The IR spectrum after ionization to the cationic ground state (D0) exhibits a red shifted νOH band assigned to a hydrogen-bonded cationic structure, in which the CH4 ligand binds to the phenolic OH group. In contrast to phenol-Ar/Kr, the observed ionization-induced π → H migration has unity yield for CH4. This difference is attributed to intracluster vibrational energy redistribution processes. © 2014 the Owner Societies.

U2 - 10.1039/C3CP53533A

DO - 10.1039/C3CP53533A

M3 - Article

SN - 1463-9076

VL - 16

SP - 110

EP - 116

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 1

ER -

Ionization-induced π → H site-switching in phenol-CH4 complexes studied using IR dip spectroscopy

Abstract

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