Pairing of the nucleobases guanine and cytosine in the gas phase studied by IR-UV double-resonance spectroscopy and ab initio calculations

E. Nir; Ch Janzen; P. Imhof; K. Kleinermanns; M. S. de Vries

doi:10.1039/b107429f

Pairing of the nucleobases guanine and cytosine in the gas phase studied by IR-UV double-resonance spectroscopy and ab initio calculations

E. Nir, Ch Janzen, P. Imhof, K. Kleinermanns, M. S. de Vries

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Abstract

We present R2PI, IR-UV and UV-UV double resonance measurements of the guanine-cytosine (G-C) dimer formed in a supersonic jet. We show that there is only one isomer of G-C in the investigated wavelength range from 33200 to 34100 cm^-1. We assigned the observed G-C isomer to a specific structure, based on comparisons of the IR spectra of the G and C monomers with the G-C dimer in the range of the OH and NH stretching vibrations and ab initio-calculated vibrational frequencies and dimer stabilities. The cluster exhibits an HNH···O/NH···N/C=O ···HNH bonding similar to the Watson-Crick G-C base pair bonding but with C as the enol tautomer. We did not observe any keto-keto or enol-enol G-C dimers in the investigated wavelength region.

Original language	English
Pages (from-to)	732-739
Number of pages	8
Journal	Physical Chemistry Chemical Physics
Volume	4
Issue number	5
DOIs	https://doi.org/10.1039/b107429f
State	Published - 1 Jan 2002
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Pairing of the nucleobases guanine and cytosine in the gas phase studied by IR-UV double-resonance spectroscopy and ab initio calculations",

abstract = "We present R2PI, IR-UV and UV-UV double resonance measurements of the guanine-cytosine (G-C) dimer formed in a supersonic jet. We show that there is only one isomer of G-C in the investigated wavelength range from 33200 to 34100 cm-1. We assigned the observed G-C isomer to a specific structure, based on comparisons of the IR spectra of the G and C monomers with the G-C dimer in the range of the OH and NH stretching vibrations and ab initio-calculated vibrational frequencies and dimer stabilities. The cluster exhibits an HNH···O/NH···N/C=O ···HNH bonding similar to the Watson-Crick G-C base pair bonding but with C as the enol tautomer. We did not observe any keto-keto or enol-enol G-C dimers in the investigated wavelength region.",

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TY - JOUR

T1 - Pairing of the nucleobases guanine and cytosine in the gas phase studied by IR-UV double-resonance spectroscopy and ab initio calculations

AU - Nir, E.

AU - Janzen, Ch

AU - Imhof, P.

AU - Kleinermanns, K.

AU - de Vries, M. S.

PY - 2002/1/1

Y1 - 2002/1/1

N2 - We present R2PI, IR-UV and UV-UV double resonance measurements of the guanine-cytosine (G-C) dimer formed in a supersonic jet. We show that there is only one isomer of G-C in the investigated wavelength range from 33200 to 34100 cm-1. We assigned the observed G-C isomer to a specific structure, based on comparisons of the IR spectra of the G and C monomers with the G-C dimer in the range of the OH and NH stretching vibrations and ab initio-calculated vibrational frequencies and dimer stabilities. The cluster exhibits an HNH···O/NH···N/C=O ···HNH bonding similar to the Watson-Crick G-C base pair bonding but with C as the enol tautomer. We did not observe any keto-keto or enol-enol G-C dimers in the investigated wavelength region.

AB - We present R2PI, IR-UV and UV-UV double resonance measurements of the guanine-cytosine (G-C) dimer formed in a supersonic jet. We show that there is only one isomer of G-C in the investigated wavelength range from 33200 to 34100 cm-1. We assigned the observed G-C isomer to a specific structure, based on comparisons of the IR spectra of the G and C monomers with the G-C dimer in the range of the OH and NH stretching vibrations and ab initio-calculated vibrational frequencies and dimer stabilities. The cluster exhibits an HNH···O/NH···N/C=O ···HNH bonding similar to the Watson-Crick G-C base pair bonding but with C as the enol tautomer. We did not observe any keto-keto or enol-enol G-C dimers in the investigated wavelength region.

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JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

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Pairing of the nucleobases guanine and cytosine in the gas phase studied by IR-UV double-resonance spectroscopy and ab initio calculations

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