Terahertz spectroscopy of solid serine and cysteine

T. M. Korter; R. Balu; M. B. Campbell; M. C. Beard; S. K. Gregurick; E. J. Heilweil

doi:10.1016/j.cplett.2005.10.097

Terahertz spectroscopy of solid serine and cysteine

T. M. Korter, R. Balu, M. B. Campbell, M. C. Beard, S. K. Gregurick, E. J. Heilweil

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

189 Scopus citations

Abstract

Terahertz (THz) absorption spectra of the similarly structured amino acids l-serine and l-cysteine in the solid phase at 77 and 298 K are reported and compared to isolated molecule and solid-state infrared vibrational spectral calculations using empirical force field and density functional theory. These comparisons suggest that many higher frequency internal modes can readily be assigned but lowest frequency intermolecular and phonon modes can adequately be understood with more advanced solid-state theory using currently available potential functions.

Original language	English (US)
Pages (from-to)	65-70
Number of pages	6
Journal	Chemical Physics Letters
Volume	418
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2005.10.097
State	Published - Jan 25 2006

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2005.10.097

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title = "Terahertz spectroscopy of solid serine and cysteine",

abstract = "Terahertz (THz) absorption spectra of the similarly structured amino acids l-serine and l-cysteine in the solid phase at 77 and 298 K are reported and compared to isolated molecule and solid-state infrared vibrational spectral calculations using empirical force field and density functional theory. These comparisons suggest that many higher frequency internal modes can readily be assigned but lowest frequency intermolecular and phonon modes can adequately be understood with more advanced solid-state theory using currently available potential functions.",

author = "Korter, {T. M.} and R. Balu and Campbell, {M. B.} and Beard, {M. C.} and Gregurick, {S. K.} and Heilweil, {E. J.}",

note = "Funding Information: We kindly thank Dr. Mark Johnson of the Institute of Laue-Longevin in Grenoble, France for performing initial solid-state neutron spectroscopic modeling of these systems and to Dr. Robert Williams of the Uniform Services University, Bethesda, MD for testing serine calculations and providing insights for successfully running CPMD simulations. This work was supported by continued NIST STRS funding through a Director{\textquoteright}s Competence Project entitled {\textquoteleft}Advanced Terahertz Metrology.{\textquoteright}",

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doi = "10.1016/j.cplett.2005.10.097",

language = "English (US)",

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TY - JOUR

T1 - Terahertz spectroscopy of solid serine and cysteine

AU - Korter, T. M.

AU - Balu, R.

AU - Campbell, M. B.

AU - Beard, M. C.

AU - Gregurick, S. K.

AU - Heilweil, E. J.

N1 - Funding Information: We kindly thank Dr. Mark Johnson of the Institute of Laue-Longevin in Grenoble, France for performing initial solid-state neutron spectroscopic modeling of these systems and to Dr. Robert Williams of the Uniform Services University, Bethesda, MD for testing serine calculations and providing insights for successfully running CPMD simulations. This work was supported by continued NIST STRS funding through a Director’s Competence Project entitled ‘Advanced Terahertz Metrology.’

PY - 2006/1/25

Y1 - 2006/1/25

N2 - Terahertz (THz) absorption spectra of the similarly structured amino acids l-serine and l-cysteine in the solid phase at 77 and 298 K are reported and compared to isolated molecule and solid-state infrared vibrational spectral calculations using empirical force field and density functional theory. These comparisons suggest that many higher frequency internal modes can readily be assigned but lowest frequency intermolecular and phonon modes can adequately be understood with more advanced solid-state theory using currently available potential functions.

AB - Terahertz (THz) absorption spectra of the similarly structured amino acids l-serine and l-cysteine in the solid phase at 77 and 298 K are reported and compared to isolated molecule and solid-state infrared vibrational spectral calculations using empirical force field and density functional theory. These comparisons suggest that many higher frequency internal modes can readily be assigned but lowest frequency intermolecular and phonon modes can adequately be understood with more advanced solid-state theory using currently available potential functions.

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

Terahertz spectroscopy of solid serine and cysteine

Abstract

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