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

Eszter E. Najbauer, Gábor Bazsó, Sándor Góbi, G. Magyarfalvi, G. Tarczay

Research output: Article

13 Citations (Scopus)

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) × 103 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.

Original languageEnglish
Pages (from-to)2093-2103
Number of pages11
JournalJournal of Physical Chemistry B
Volume118
Issue number8
DOIs
Publication statusPublished - febr. 27 2014

Fingerprint

Infrared lasers
cysteine
Microwave spectroscopy
infrared lasers
Cysteine
isolation
Spectroscopy
Laser beam effects
Infrared spectroscopy
matrices
spectroscopy
microwaves
irradiation
Large scale systems
complex systems
half life
lasers
Atoms
decay
atoms

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Materials Chemistry
  • Surfaces, Coatings and Films

Cite this

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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) × 103 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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T1 - Exploring the conformational space of cysteine by matrix isolation spectroscopy combined with near-infrared laser induced conformational change

AU - Najbauer, Eszter E.

AU - Bazsó, Gábor

AU - Góbi, Sándor

AU - Magyarfalvi, G.

AU - Tarczay, G.

PY - 2014/2/27

Y1 - 2014/2/27

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AB - 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) × 103 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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