Prev. Article Next Article Table of Contents

Article

Infrared Laser Spectroscopy of Uracil and Thymine in Helium Nanodroplets: Vibrational Transition Moment Angle Study

Supporting Info

Myong Yong Choi*^† and Roger E. Miller^‡

Department of Chemistry, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599 and Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University, Jinju, 660-701, South Korea

J. Phys. Chem. A, 2007, 111 (13), pp 2475–2479

DOI: 10.1021/jp0674625

Publication Date (Web): March 14, 2007

To whom correspondence should be addressed. E-mail: mychois@ unc.edu; mychoi@gnu.ac.kr.

†

Present address: Gyeongsang National University.

‡

Deceased, November 6, 2005.

Abstract

Vibrational spectra are reported in the N−H stretching region for uracil and thymine monomers in helium nanodroplets. Each monomer shows only a single isomer, the global minimum, in agreement with previous experimental and theoretical studies. The assignment of the infrared vibrational bands in the spectra is aided by the measurement of the corresponding vibrational transition moment angles (VTMAs) and ab initio frequency calculations. The ambiguity in the VTMA assignment of the N3H band for the uracil monomer is explained by the presence of dimer bands, which are overlapped with the monomer band.

View: Full Text HTML | Hi-Res PDF