Literature DB >> 24479484

Exploring the conformational space of cysteine by matrix isolation spectroscopy combined with near-infrared laser induced conformational change.

Eszter E Najbauer1, Gábor Bazsó, Sándor Góbi, Gábor Magyarfalvi, György Tarczay.   

Abstract

Six conformers of α-cysteine were identified by matrix isolation IR spectroscopy combined with NIR laser irradiation. Five of these conformers are identical with the five out of six conformers that have recently been identified by microwave spectroscopy. The sixth conformer observed in the present study is a short-lived conformer, which decays by H-atom tunneling; its half-life in a 12 K N2 matrix is (1.1 ± 0.5) × 10(3) s. This study proves that matrix isolation IR spectroscopy combined with NIR laser irradiation is a suitable method to identify conformers of a complex system for which computations predict several dozens of conformers, and that the reliability of this method for conformational assignment is comparable to that of microwave spectroscopy.

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Year:  2014        PMID: 24479484     DOI: 10.1021/jp412550q

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN: 1520-5207            Impact factor:   2.991


  2 in total

1.  CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study.

Authors:  Vincenzo Barone; Malgorzata Biczysko; Julien Bloino; Paola Cimino; Emanuele Penocchio; Cristina Puzzarini
Journal:  J Chem Theory Comput       Date:  2015-08-07       Impact factor: 6.006

2.  Identification of Serine Conformers by Matrix-Isolation IR Spectroscopy Aided by Near-Infrared Laser-Induced Conformational Change, 2D Correlation Analysis, and Quantum Mechanical Anharmonic Computations.

Authors:  Eszter E Najbauer; Gábor Bazsó; Rui Apóstolo; Rui Fausto; Malgorzata Biczysko; Vincenzo Barone; György Tarczay
Journal:  J Phys Chem B       Date:  2015-08-05       Impact factor: 2.991

  2 in total

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