Continuous-wave terahertz spectroscopy of biotin: Vibrational anharmonicity in the far-infrared

T. M. Korter; D. F. Plusquellic

doi:10.1016/j.cplett.2003.12.060

Continuous-wave terahertz spectroscopy of biotin: Vibrational anharmonicity in the far-infrared

T. M. Korter, D. F. Plusquellic

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Abstract

A high-resolution continuous-wave terahertz spectrometer has been used to investigate the absorption spectrum of biotin in a polyethylene matrix from 6 to 115 cm^-1. Gaussian linewidths from least squares fits at 4.2 K are found to increase from 1 to 5 cm^-1 over this region establishing conservative lower limits on the vibrational lifetimes from 5 to 1 ps. The calculated partition function of 1.0 at 4.2 K is shown to increase to 10 ⁸ at 298 K indicating enormous changes in the sequence level populations with increasing temperature. Lineshape models that include mechanical anharmonicity were therefore necessary to obtain satisfactory fits at 298 K. Anharmonicity factors (χ_eν̄_e/ ν̄_e) range from 0.1% to 1% and establish their importance for refining model predictions.

Original language	English (US)
Pages (from-to)	45-51
Number of pages	7
Journal	Chemical Physics Letters
Volume	385
Issue number	1-2
DOIs	https://doi.org/10.1016/j.cplett.2003.12.060
State	Published - Feb 2 2004
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2003.12.060

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title = "Continuous-wave terahertz spectroscopy of biotin: Vibrational anharmonicity in the far-infrared",

abstract = "A high-resolution continuous-wave terahertz spectrometer has been used to investigate the absorption spectrum of biotin in a polyethylene matrix from 6 to 115 cm-1. Gaussian linewidths from least squares fits at 4.2 K are found to increase from 1 to 5 cm-1 over this region establishing conservative lower limits on the vibrational lifetimes from 5 to 1 ps. The calculated partition function of 1.0 at 4.2 K is shown to increase to 10 8 at 298 K indicating enormous changes in the sequence level populations with increasing temperature. Lineshape models that include mechanical anharmonicity were therefore necessary to obtain satisfactory fits at 298 K. Anharmonicity factors (χe{\=ν}e/ {\=ν}e) range from 0.1% to 1% and establish their importance for refining model predictions.",

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AU - Korter, T. M.

AU - Plusquellic, D. F.

PY - 2004/2/2

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N2 - A high-resolution continuous-wave terahertz spectrometer has been used to investigate the absorption spectrum of biotin in a polyethylene matrix from 6 to 115 cm-1. Gaussian linewidths from least squares fits at 4.2 K are found to increase from 1 to 5 cm-1 over this region establishing conservative lower limits on the vibrational lifetimes from 5 to 1 ps. The calculated partition function of 1.0 at 4.2 K is shown to increase to 10 8 at 298 K indicating enormous changes in the sequence level populations with increasing temperature. Lineshape models that include mechanical anharmonicity were therefore necessary to obtain satisfactory fits at 298 K. Anharmonicity factors (χeν̄e/ ν̄e) range from 0.1% to 1% and establish their importance for refining model predictions.

AB - A high-resolution continuous-wave terahertz spectrometer has been used to investigate the absorption spectrum of biotin in a polyethylene matrix from 6 to 115 cm-1. Gaussian linewidths from least squares fits at 4.2 K are found to increase from 1 to 5 cm-1 over this region establishing conservative lower limits on the vibrational lifetimes from 5 to 1 ps. The calculated partition function of 1.0 at 4.2 K is shown to increase to 10 8 at 298 K indicating enormous changes in the sequence level populations with increasing temperature. Lineshape models that include mechanical anharmonicity were therefore necessary to obtain satisfactory fits at 298 K. Anharmonicity factors (χeν̄e/ ν̄e) range from 0.1% to 1% and establish their importance for refining model predictions.

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Continuous-wave terahertz spectroscopy of biotin: Vibrational anharmonicity in the far-infrared

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