The S1 ← S0 electronic transitions of 4- and 5-phenyl imidazole in the gas phase

M. R. Hockridge; E. G. Robertson; J. P. Simons; D. R. Borst; T. M. Korter; D. W. Pratt

doi:10.1016/S0009-2614(00)01368-3

The S₁ ← S₀ electronic transitions of 4- and 5-phenyl imidazole in the gas phase

M. R. Hockridge, E. G. Robertson, J. P. Simons, D. R. Borst, T. M. Korter, D. W. Pratt

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

12 Scopus citations

Abstract

The S₁←S₀ electronic spectrum of 4-phenyl imidazole (4PI), previously studied in the gas phase by Hockridge et al. [Chem. Phys. Lett. 302 (1999) 538], has been re-examined at both low and high resolution using fluorescence excitation and isotopic substitution techniques. The data establish a planar structure in both states; a pure a-type origin band indicates that the S₁ state is ¹L_a in character. Analysis of the torsional progressions in the S₁←S₀ electronic spectrum of the 4PI tautomer, 5-phenyl imidazole (5PI), indicates a planar excited state but a non-planar ground state, with a twist angle between the two ring systems of ~27°and a barrier to planarity of ~90 cm^-1.

Original language	English (US)
Pages (from-to)	31-38
Number of pages	8
Journal	Chemical Physics Letters
Volume	334
Issue number	1-3
DOIs	https://doi.org/10.1016/S0009-2614(00)01368-3
State	Published - Feb 2 2001
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1016/S0009-2614(00)01368-3

Cite this

@article{dbef9fb9941d4119a51d60c82babe977,

title = "The S1 ← S0 electronic transitions of 4- and 5-phenyl imidazole in the gas phase",

abstract = "The S1←S0 electronic spectrum of 4-phenyl imidazole (4PI), previously studied in the gas phase by Hockridge et al. [Chem. Phys. Lett. 302 (1999) 538], has been re-examined at both low and high resolution using fluorescence excitation and isotopic substitution techniques. The data establish a planar structure in both states; a pure a-type origin band indicates that the S1 state is 1La in character. Analysis of the torsional progressions in the S1←S0 electronic spectrum of the 4PI tautomer, 5-phenyl imidazole (5PI), indicates a planar excited state but a non-planar ground state, with a twist angle between the two ring systems of ~27°and a barrier to planarity of ~90 cm-1.",

author = "Hockridge, {M. R.} and Robertson, {E. G.} and Simons, {J. P.} and Borst, {D. R.} and Korter, {T. M.} and Pratt, {D. W.}",

note = "Funding Information: This work has been supported by NATO (CRG-960687), NSF (INT-9722029, CHE-9617208, and CHE-9987048) and the Leverhulme Trust, to each of whom we are grateful. We also thank L.T. Scott for the helpful discussions, and N.A. Macleod and P.D. Jelfs for their assistance with some of the computational work. ",

year = "2001",

month = feb,

day = "2",

doi = "10.1016/S0009-2614(00)01368-3",

language = "English (US)",

volume = "334",

pages = "31--38",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier",

number = "1-3",

}

TY - JOUR

T1 - The S1 ← S0 electronic transitions of 4- and 5-phenyl imidazole in the gas phase

AU - Hockridge, M. R.

AU - Robertson, E. G.

AU - Simons, J. P.

AU - Borst, D. R.

AU - Korter, T. M.

AU - Pratt, D. W.

N1 - Funding Information: This work has been supported by NATO (CRG-960687), NSF (INT-9722029, CHE-9617208, and CHE-9987048) and the Leverhulme Trust, to each of whom we are grateful. We also thank L.T. Scott for the helpful discussions, and N.A. Macleod and P.D. Jelfs for their assistance with some of the computational work.

PY - 2001/2/2

Y1 - 2001/2/2

N2 - The S1←S0 electronic spectrum of 4-phenyl imidazole (4PI), previously studied in the gas phase by Hockridge et al. [Chem. Phys. Lett. 302 (1999) 538], has been re-examined at both low and high resolution using fluorescence excitation and isotopic substitution techniques. The data establish a planar structure in both states; a pure a-type origin band indicates that the S1 state is 1La in character. Analysis of the torsional progressions in the S1←S0 electronic spectrum of the 4PI tautomer, 5-phenyl imidazole (5PI), indicates a planar excited state but a non-planar ground state, with a twist angle between the two ring systems of ~27°and a barrier to planarity of ~90 cm-1.

AB - The S1←S0 electronic spectrum of 4-phenyl imidazole (4PI), previously studied in the gas phase by Hockridge et al. [Chem. Phys. Lett. 302 (1999) 538], has been re-examined at both low and high resolution using fluorescence excitation and isotopic substitution techniques. The data establish a planar structure in both states; a pure a-type origin band indicates that the S1 state is 1La in character. Analysis of the torsional progressions in the S1←S0 electronic spectrum of the 4PI tautomer, 5-phenyl imidazole (5PI), indicates a planar excited state but a non-planar ground state, with a twist angle between the two ring systems of ~27°and a barrier to planarity of ~90 cm-1.

UR - http://www.scopus.com/inward/record.url?scp=0000667681&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0000667681&partnerID=8YFLogxK

U2 - 10.1016/S0009-2614(00)01368-3

DO - 10.1016/S0009-2614(00)01368-3

M3 - Article

AN - SCOPUS:0000667681

SN - 0009-2614

VL - 334

SP - 31

EP - 38

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

The S₁ ← S₀ electronic transitions of 4- and 5-phenyl imidazole in the gas phase

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this