Selective deprotonation of oxazole and photoelectron imaging of the oxazolide anion

Lori M. Culberson; Christopher C. Blackstone; Ronald Wysocki; Andrei Sanov

doi:10.1039/c3cp53176g

Selective deprotonation of oxazole and photoelectron imaging of the oxazolide anion

Lori M. Culberson, Christopher C. Blackstone, Ronald Wysocki, Andrei Sanov

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Abstract

A photoelectron imaging study of the oxazolide anion obtained by selective deprotonation of oxazole at the C2 position is reported. The photodetachment transitions observed at 355, 392, and 532 nm are assigned to the ground state of the neutral oxazolyl σ radical. A Franck-Condon analysis of this transition aids in the first determination of the adiabatic electron affinity of oxazolyl, EA = 2.21 ± 0.02 eV. A vibrational progression with a frequency of 890 ± 80 cm^-1 is observed, corresponding to an in-plane ring distortion mode. The photoelectron angular distributions are analyzed using the mixed s-p model, shedding light on the hybrid character of the anion HOMO.

Original language	English (US)
Pages (from-to)	527-532
Number of pages	6
Journal	Physical Chemistry Chemical Physics
Volume	16
Issue number	2
DOIs	https://doi.org/10.1039/c3cp53176g
State	Published - Jan 14 2014

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Selective deprotonation of oxazole and photoelectron imaging of the oxazolide anion",

abstract = "A photoelectron imaging study of the oxazolide anion obtained by selective deprotonation of oxazole at the C2 position is reported. The photodetachment transitions observed at 355, 392, and 532 nm are assigned to the ground state of the neutral oxazolyl σ radical. A Franck-Condon analysis of this transition aids in the first determination of the adiabatic electron affinity of oxazolyl, EA = 2.21 ± 0.02 eV. A vibrational progression with a frequency of 890 ± 80 cm-1 is observed, corresponding to an in-plane ring distortion mode. The photoelectron angular distributions are analyzed using the mixed s-p model, shedding light on the hybrid character of the anion HOMO.",

author = "Culberson, {Lori M.} and Blackstone, {Christopher C.} and Ronald Wysocki and Andrei Sanov",

year = "2014",

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doi = "10.1039/c3cp53176g",

language = "English (US)",

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T1 - Selective deprotonation of oxazole and photoelectron imaging of the oxazolide anion

AU - Culberson, Lori M.

AU - Blackstone, Christopher C.

AU - Wysocki, Ronald

AU - Sanov, Andrei

PY - 2014/1/14

Y1 - 2014/1/14

N2 - A photoelectron imaging study of the oxazolide anion obtained by selective deprotonation of oxazole at the C2 position is reported. The photodetachment transitions observed at 355, 392, and 532 nm are assigned to the ground state of the neutral oxazolyl σ radical. A Franck-Condon analysis of this transition aids in the first determination of the adiabatic electron affinity of oxazolyl, EA = 2.21 ± 0.02 eV. A vibrational progression with a frequency of 890 ± 80 cm-1 is observed, corresponding to an in-plane ring distortion mode. The photoelectron angular distributions are analyzed using the mixed s-p model, shedding light on the hybrid character of the anion HOMO.

AB - A photoelectron imaging study of the oxazolide anion obtained by selective deprotonation of oxazole at the C2 position is reported. The photodetachment transitions observed at 355, 392, and 532 nm are assigned to the ground state of the neutral oxazolyl σ radical. A Franck-Condon analysis of this transition aids in the first determination of the adiabatic electron affinity of oxazolyl, EA = 2.21 ± 0.02 eV. A vibrational progression with a frequency of 890 ± 80 cm-1 is observed, corresponding to an in-plane ring distortion mode. The photoelectron angular distributions are analyzed using the mixed s-p model, shedding light on the hybrid character of the anion HOMO.

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JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

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Selective deprotonation of oxazole and photoelectron imaging of the oxazolide anion

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