Journal ArticleDOI
Matrix isolation studies of nucleic acid constituents. i. infrared spectra of uracil monomers
M. Szczesniak,Maciej J. Nowak,Hanna Rostkowska,Krystyna Szczepaniak,Willis B. Person,David Shugar +5 more
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TLDR
In this article, the authors proposed a method to solve the problem of energy minimization in the field of particle physics, using an energy minimisation algorithm based on the concept of energy maximization.Abstract:
Author Institution: Institute of Physics, Polish Academy of Sciences; Department of Chemistry, University of Floridaread more
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Journal ArticleDOI
Infrared multiple photon dissociation action spectroscopy of sodiated uracil and thiouracils: Effects of thioketo-substitution on gas-phase conformation
TL;DR: In this paper, the IRMPD action spectra of six sodium cationized complexes of uracil and five thiouracils were examined via infrared multiple photon dissociation (IRMPD) action spectroscopy and theoretical electronic structure calculations.
Journal ArticleDOI
Infrared laser spectroscopy of uracil in a pulsed slit jet
TL;DR: In this article, a new high-temperature pulsed slit jet source has enabled the first observation of a rotationally resolved vibrational spectrum of a nucleotide base, centered at 1703.888 cm−1, which has been assigned to the fundamental out-of-phase mixed carbonyl stretching vibration of the diketo tautomer of uracil.
Journal ArticleDOI
Infrared Cavity Ringdown Spectroscopy of Jet-Cooled Nucleotide Base Clusters and Water Complexes
TL;DR: In this paper, the first direct infrared absorption measurements of gas phase nucleotide base clusters and complexes with water were presented, and the IR cavity ringdown laser absorption spectroscopy results showed unusually large bonded OH stretch red shifts for uracil−water clusters, providing evidence of the extremely strong hydrogen bonds formed between these molecules predicted in ab initio calculations.
Journal ArticleDOI
Matrix isolation studies of nucleic acid constituents—III. 1-Methyluracil, 3-methyluracil and 1,3-dimethyluracil monomers
TL;DR: In this paper, the effects of N 3 -deuteration and methylation at N 1 and N 3, on the spectrum of the parent uracil molecule are investigated in detail.
Journal ArticleDOI
Ar-matrix IR spectra of 5-halouracils interpreted by means of DFT calculations.
Jan Cz. Dobrowolski,Joanna E. Rode,Robert Kołos,Michał H. Jamróz,Krzysztof Bajdor,Aleksander P. Mazurek +5 more
TL;DR: The infrared low-temperature Ar-matrix spectra of 5-halouracils and unsubstituted uracil were measured and interpreted in terms of the spectra calculated at the DFT/B3PW91/6-311G level followed by a potential energy distribution (PED) analysis.
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Vibrational spectra of nucleic acid constituents—II: Planar vibrations of cytosine
H. Susi,J.S. Ard,J.M. Purcell +2 more