Terahertz spectroscopy of 7-azaindole clusters in solution

Anna M. Fedor; Timothy M. Korter

doi:10.1016/j.cplett.2006.07.101

Terahertz spectroscopy of 7-azaindole clusters in solution

Anna M. Fedor, Timothy M. Korter

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19 Scopus citations

Abstract

The terahertz spectrum of 7-azaindole in solution has been obtained from 5 to 165 cm^-1 and analyzed using density functional theory calculations. The experimental spectrum exhibits a strong absorption feature at 76 cm^-1 that is attributed to an intermolecular vibration of self-associated 7-azaindole dimers. The calculations reveal that observed spectral features, which are unaccounted for in the 7-azaindole dimer normal mode analysis, may be attributed to a 7-azaindole hydrogen-bonded tetramer. This work presents the first quantum mechanical investigation of the structure and low-frequency vibrational motions of the 7-azaindole tetramer.

Original language	English (US)
Pages (from-to)	405-409
Number of pages	5
Journal	Chemical Physics Letters
Volume	429
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2006.07.101
State	Published - Oct 5 2006

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2006.07.101

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title = "Terahertz spectroscopy of 7-azaindole clusters in solution",

abstract = "The terahertz spectrum of 7-azaindole in solution has been obtained from 5 to 165 cm-1 and analyzed using density functional theory calculations. The experimental spectrum exhibits a strong absorption feature at 76 cm-1 that is attributed to an intermolecular vibration of self-associated 7-azaindole dimers. The calculations reveal that observed spectral features, which are unaccounted for in the 7-azaindole dimer normal mode analysis, may be attributed to a 7-azaindole hydrogen-bonded tetramer. This work presents the first quantum mechanical investigation of the structure and low-frequency vibrational motions of the 7-azaindole tetramer.",

author = "Fedor, {Anna M.} and Korter, {Timothy M.}",

note = "Funding Information: The authors gratefully acknowledge the support of the National Science Foundation (PHY-0442188) and the ACS Petroleum Research Fund (40610-G6). We also express our gratitude to Dr. Damian G. Allis for his assistance with figure preparation and critical reading of the manuscript.",

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T1 - Terahertz spectroscopy of 7-azaindole clusters in solution

AU - Fedor, Anna M.

AU - Korter, Timothy M.

N1 - Funding Information: The authors gratefully acknowledge the support of the National Science Foundation (PHY-0442188) and the ACS Petroleum Research Fund (40610-G6). We also express our gratitude to Dr. Damian G. Allis for his assistance with figure preparation and critical reading of the manuscript.

PY - 2006/10/5

Y1 - 2006/10/5

N2 - The terahertz spectrum of 7-azaindole in solution has been obtained from 5 to 165 cm-1 and analyzed using density functional theory calculations. The experimental spectrum exhibits a strong absorption feature at 76 cm-1 that is attributed to an intermolecular vibration of self-associated 7-azaindole dimers. The calculations reveal that observed spectral features, which are unaccounted for in the 7-azaindole dimer normal mode analysis, may be attributed to a 7-azaindole hydrogen-bonded tetramer. This work presents the first quantum mechanical investigation of the structure and low-frequency vibrational motions of the 7-azaindole tetramer.

AB - The terahertz spectrum of 7-azaindole in solution has been obtained from 5 to 165 cm-1 and analyzed using density functional theory calculations. The experimental spectrum exhibits a strong absorption feature at 76 cm-1 that is attributed to an intermolecular vibration of self-associated 7-azaindole dimers. The calculations reveal that observed spectral features, which are unaccounted for in the 7-azaindole dimer normal mode analysis, may be attributed to a 7-azaindole hydrogen-bonded tetramer. This work presents the first quantum mechanical investigation of the structure and low-frequency vibrational motions of the 7-azaindole tetramer.

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JO - Chemical Physics Letters

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Terahertz spectroscopy of 7-azaindole clusters in solution

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