Glycine conformers: a never-ending story?

Literature Information

Publication Date 2012-11-30
DOI 10.1039/C2CP43884D
Impact Factor 3.676
Authors

Vincenzo Barone, Malgorzata Biczysko, Cristina Puzzarini


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Abstract

The structure and vibrational spectra of a marginally stable conformer of glycine (usually referred to as VIp or ttc) recently detected in low-temperature matrices have been characterized by a state-of-the-art computational approach allowing an overall quality for bond distances, rotational constants, conformational enthalpies and vibrational frequencies well within the chemical accuracy. The high accuracy of the computational results allows us to draw a fully consistent interpretation of the available experimental data and to obtain a more complete characterization of an elusive glycine conformer.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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