Conformational Study of Taurine in the Gas Phase

Vanessa Cortijo; Maria Eugenia Sanz; Juan C. Lopez; Jose L. Alonso

doi:10.1021/jp904586c

Conformational Study of Taurine in the Gas Phase

Vanessa Cortijo, Maria Eugenia Sanz, Juan C. Lopez, Jose L. Alonso^*

^*Corresponding author for this work

Chemistry

Universidad de Valladolid

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

6 Citations (Scopus)

Abstract

The conformational preferences of the amino sulfonic acid taurine (NH(2)-CH(2)-CH(2)-SO(3)H) have been investigated in the gas phase by laser ablation molecular beam Fourier transform microwave spectroscopy (LA-MB-FTMW) in the 6-14 GHz frequency range. One conformer has been observed, and its rotational, centrifugal distortion, and hyperfine quadrupole Coupling constants have been determined from the analysis of its rotational spectrum. Comparison of the experimental constants with those calculated theoretically identifies the detected conformer unambiguously. The observed conformer of taurine is stabilized by an intramolecular hydrogen bond O-H center dot center dot center dot N between the hydrogen of the sulfonic acid group and the nitrogen atom of the amino group.

Original language	English
Article number	N/A
Pages (from-to)	14681-14683
Number of pages	3
Journal	JOURNAL OF PHYSICAL CHEMISTRY A
Volume	113
Issue number	52
DOIs	https://doi.org/10.1021/jp904586c
Publication status	Published - 31 Dec 2009

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title = "Conformational Study of Taurine in the Gas Phase",

abstract = "The conformational preferences of the amino sulfonic acid taurine (NH(2)-CH(2)-CH(2)-SO(3)H) have been investigated in the gas phase by laser ablation molecular beam Fourier transform microwave spectroscopy (LA-MB-FTMW) in the 6-14 GHz frequency range. One conformer has been observed, and its rotational, centrifugal distortion, and hyperfine quadrupole Coupling constants have been determined from the analysis of its rotational spectrum. Comparison of the experimental constants with those calculated theoretically identifies the detected conformer unambiguously. The observed conformer of taurine is stabilized by an intramolecular hydrogen bond O-H center dot center dot center dot N between the hydrogen of the sulfonic acid group and the nitrogen atom of the amino group.",

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AU - Sanz, Maria Eugenia

AU - Lopez, Juan C.

AU - Alonso, Jose L.

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Y1 - 2009/12/31

N2 - The conformational preferences of the amino sulfonic acid taurine (NH(2)-CH(2)-CH(2)-SO(3)H) have been investigated in the gas phase by laser ablation molecular beam Fourier transform microwave spectroscopy (LA-MB-FTMW) in the 6-14 GHz frequency range. One conformer has been observed, and its rotational, centrifugal distortion, and hyperfine quadrupole Coupling constants have been determined from the analysis of its rotational spectrum. Comparison of the experimental constants with those calculated theoretically identifies the detected conformer unambiguously. The observed conformer of taurine is stabilized by an intramolecular hydrogen bond O-H center dot center dot center dot N between the hydrogen of the sulfonic acid group and the nitrogen atom of the amino group.

AB - The conformational preferences of the amino sulfonic acid taurine (NH(2)-CH(2)-CH(2)-SO(3)H) have been investigated in the gas phase by laser ablation molecular beam Fourier transform microwave spectroscopy (LA-MB-FTMW) in the 6-14 GHz frequency range. One conformer has been observed, and its rotational, centrifugal distortion, and hyperfine quadrupole Coupling constants have been determined from the analysis of its rotational spectrum. Comparison of the experimental constants with those calculated theoretically identifies the detected conformer unambiguously. The observed conformer of taurine is stabilized by an intramolecular hydrogen bond O-H center dot center dot center dot N between the hydrogen of the sulfonic acid group and the nitrogen atom of the amino group.

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Conformational Study of Taurine in the Gas Phase

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