Intermolecular vibration and internal rotation of a methyl group in acetanilide Ar: a ZEKE photoelectron spectroscopy study

X  Tong; S  Ullrich; C E H  Dessent; K  Muller-Dethlefs

doi:10.1039/b202325m

Intermolecular vibration and internal rotation of a methyl group in acetanilide Ar: a ZEKE photoelectron spectroscopy study

X Tong, S Ullrich, C E H Dessent, K Muller-Dethlefs

Chemistry

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

Abstract

Two-color REMPI and ZEKE photoelectron spectra are presented for the trans-acetanilide Ar complex. Methyl rotor features are prominent in the cluster spectra and appear with unperturbed frequencies and intensities compared to acetanilide, indicating that the argon atom exerts little influence on the methyl rotor from its van der Waals binding position above the aromatic ring. Analysis of the spectra allowed the determination of the S-1 and D-0 barrier heights ( 50 and 320 cm(-1)), and the S-0 and S-1 0a-1e splitting (3.9 and 2.0 cm(-1)).

Original language	English
Pages (from-to)	3578-3582
Number of pages	5
Journal	Physical Chemistry Chemical Physics
Volume	4
Issue number	15
DOIs	https://doi.org/10.1039/b202325m
Publication status	Published - 2002

Keywords

VAN-DER-WAALS
KINETIC-ENERGY PHOTOELECTRON
THRESHOLD IONIZATION SPECTROSCOPY
AB-INITIO CALCULATIONS
FIELD-IONIZATION
RYDBERG STATES
COMPLEXES
CATIONS
ENERGETICS
DYNAMICS

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10.1039/b202325m

Cite this

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title = "Intermolecular vibration and internal rotation of a methyl group in acetanilide Ar: a ZEKE photoelectron spectroscopy study",

abstract = "Two-color REMPI and ZEKE photoelectron spectra are presented for the trans-acetanilide Ar complex. Methyl rotor features are prominent in the cluster spectra and appear with unperturbed frequencies and intensities compared to acetanilide, indicating that the argon atom exerts little influence on the methyl rotor from its van der Waals binding position above the aromatic ring. Analysis of the spectra allowed the determination of the S-1 and D-0 barrier heights ( 50 and 320 cm(-1)), and the S-0 and S-1 0a-1e splitting (3.9 and 2.0 cm(-1)).",

keywords = "VAN-DER-WAALS, KINETIC-ENERGY PHOTOELECTRON, THRESHOLD IONIZATION SPECTROSCOPY, AB-INITIO CALCULATIONS, FIELD-IONIZATION, RYDBERG STATES, COMPLEXES, CATIONS, ENERGETICS, DYNAMICS",

author = "X Tong and S Ullrich and Dessent, {C E H} and K Muller-Dethlefs",

year = "2002",

doi = "10.1039/b202325m",

language = "English",

volume = "4",

pages = "3578--3582",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "The Royal Society of Chemistry",

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TY - JOUR

T1 - Intermolecular vibration and internal rotation of a methyl group in acetanilide Ar: a ZEKE photoelectron spectroscopy study

AU - Tong, X

AU - Ullrich, S

AU - Dessent, C E H

AU - Muller-Dethlefs, K

PY - 2002

Y1 - 2002

N2 - Two-color REMPI and ZEKE photoelectron spectra are presented for the trans-acetanilide Ar complex. Methyl rotor features are prominent in the cluster spectra and appear with unperturbed frequencies and intensities compared to acetanilide, indicating that the argon atom exerts little influence on the methyl rotor from its van der Waals binding position above the aromatic ring. Analysis of the spectra allowed the determination of the S-1 and D-0 barrier heights ( 50 and 320 cm(-1)), and the S-0 and S-1 0a-1e splitting (3.9 and 2.0 cm(-1)).

AB - Two-color REMPI and ZEKE photoelectron spectra are presented for the trans-acetanilide Ar complex. Methyl rotor features are prominent in the cluster spectra and appear with unperturbed frequencies and intensities compared to acetanilide, indicating that the argon atom exerts little influence on the methyl rotor from its van der Waals binding position above the aromatic ring. Analysis of the spectra allowed the determination of the S-1 and D-0 barrier heights ( 50 and 320 cm(-1)), and the S-0 and S-1 0a-1e splitting (3.9 and 2.0 cm(-1)).

KW - VAN-DER-WAALS

KW - KINETIC-ENERGY PHOTOELECTRON

KW - THRESHOLD IONIZATION SPECTROSCOPY

KW - AB-INITIO CALCULATIONS

KW - FIELD-IONIZATION

KW - RYDBERG STATES

KW - COMPLEXES

KW - CATIONS

KW - ENERGETICS

KW - DYNAMICS

U2 - 10.1039/b202325m

DO - 10.1039/b202325m

M3 - Article

SN - 1463-9076

VL - 4

SP - 3578

EP - 3582

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 15

ER -