Ionization-induced conformational changes: REMPI and ZEKE spectroscopy of salicyl and benzyl alcohol

C E H  Dessent; W D  Geppert; S  Ullrich; K  Muller-Dethlefs

Ionization-induced conformational changes: REMPI and ZEKE spectroscopy of salicyl and benzyl alcohol

C E H Dessent, W D Geppert, S Ullrich, K Muller-Dethlefs

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

Salicyl and benzyl alcohol have been studied using (1 + 1') resonance-enhanced multiphoton ionization (REMPI) spectroscopy to investigate the conformation adopted by a flexible CH2OH group in the presence and absence of an intramolecular hydrogen bond. The salicyl acid spectrum shows extensive progressions and combinations of CH2OH bending and torsional motions, indicating that a considerable geometry change occurs upon S-1 <-- S-0 excitation, in contrast to benzyl alcohol which shows relatively little vibrational excitation. Zero electron kinetic energy (ZEKE) spectra of the alcohols display very weak ionization thresholds and no resolved vibrational features, indicating that substantial conformational changes occur upon ionization. Ab initio calculations are presented to support these conclusions. (C) 2000 Elsevier Science B.V. All rights reserved.

Original language	English
Pages (from-to)	375-384
Number of pages	10
Journal	Chemical Physics Letters
Volume	319
Issue number	3-4
Publication status	Published - 17 Mar 2000

Keywords

PHOTOELECTRON-SPECTROSCOPY
VIBRATIONS
MOLECULES
CLUSTERS
STATE

Cite this

@article{1c31a65bed5b4d24a39814baecf8d035,

title = "Ionization-induced conformational changes: REMPI and ZEKE spectroscopy of salicyl and benzyl alcohol",

abstract = "Salicyl and benzyl alcohol have been studied using (1 + 1') resonance-enhanced multiphoton ionization (REMPI) spectroscopy to investigate the conformation adopted by a flexible CH2OH group in the presence and absence of an intramolecular hydrogen bond. The salicyl acid spectrum shows extensive progressions and combinations of CH2OH bending and torsional motions, indicating that a considerable geometry change occurs upon S-1 <-- S-0 excitation, in contrast to benzyl alcohol which shows relatively little vibrational excitation. Zero electron kinetic energy (ZEKE) spectra of the alcohols display very weak ionization thresholds and no resolved vibrational features, indicating that substantial conformational changes occur upon ionization. Ab initio calculations are presented to support these conclusions. (C) 2000 Elsevier Science B.V. All rights reserved.",

keywords = "PHOTOELECTRON-SPECTROSCOPY, VIBRATIONS, MOLECULES, CLUSTERS, STATE",

author = "Dessent, {C E H} and Geppert, {W D} and S Ullrich and K Muller-Dethlefs",

year = "2000",

month = mar,

day = "17",

language = "English",

volume = "319",

pages = "375--384",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier",

number = "3-4",

}

TY - JOUR

T1 - Ionization-induced conformational changes: REMPI and ZEKE spectroscopy of salicyl and benzyl alcohol

AU - Dessent, C E H

AU - Geppert, W D

AU - Ullrich, S

AU - Muller-Dethlefs, K

PY - 2000/3/17

Y1 - 2000/3/17

N2 - Salicyl and benzyl alcohol have been studied using (1 + 1') resonance-enhanced multiphoton ionization (REMPI) spectroscopy to investigate the conformation adopted by a flexible CH2OH group in the presence and absence of an intramolecular hydrogen bond. The salicyl acid spectrum shows extensive progressions and combinations of CH2OH bending and torsional motions, indicating that a considerable geometry change occurs upon S-1 <-- S-0 excitation, in contrast to benzyl alcohol which shows relatively little vibrational excitation. Zero electron kinetic energy (ZEKE) spectra of the alcohols display very weak ionization thresholds and no resolved vibrational features, indicating that substantial conformational changes occur upon ionization. Ab initio calculations are presented to support these conclusions. (C) 2000 Elsevier Science B.V. All rights reserved.

AB - Salicyl and benzyl alcohol have been studied using (1 + 1') resonance-enhanced multiphoton ionization (REMPI) spectroscopy to investigate the conformation adopted by a flexible CH2OH group in the presence and absence of an intramolecular hydrogen bond. The salicyl acid spectrum shows extensive progressions and combinations of CH2OH bending and torsional motions, indicating that a considerable geometry change occurs upon S-1 <-- S-0 excitation, in contrast to benzyl alcohol which shows relatively little vibrational excitation. Zero electron kinetic energy (ZEKE) spectra of the alcohols display very weak ionization thresholds and no resolved vibrational features, indicating that substantial conformational changes occur upon ionization. Ab initio calculations are presented to support these conclusions. (C) 2000 Elsevier Science B.V. All rights reserved.

KW - PHOTOELECTRON-SPECTROSCOPY

KW - VIBRATIONS

KW - MOLECULES

KW - CLUSTERS

KW - STATE

M3 - Article

SN - 0009-2614

VL - 319

SP - 375

EP - 384

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3-4

ER -