Investigation of the Rotational Spectrum of Pyrimidine from 3 to 337 GHz: Molecular Structure, Nuclear Quadrupole Coupling, and Vibrational Satellites
✍ Scribed by Zbigniew Kisiel; Lech Pszczółkowski; Juan C. López; Jose' L. Alonso; Assimo Maris; Walther Caminati
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 128 KB
- Volume
- 195
- Category
- Article
- ISSN
- 0022-2852
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✦ Synopsis
A comprehensive reinvestigation of the rotational spectrum of pyrimidine was carried out by using several different spectrometers. All singly substituted 13 C-and 15 N-isotopic species of pyrimidine have been measured in natural abundance with millimeter-wave free jet and waveguide Fourier transform microwave techniques, and complete r s and r 0 heavy atom geometries have been determined. The ground state rotational spectrum in the centimeter-wave region was measured at sub-Doppler resolution of the cavity Fourier transform spectrometer and all elements in the inertial and principal nuclear quadrupole-coupling tensors of the nitrogen nuclei in pyrimidine have been determined. The room-temperature spectrum was measured up to 337 GHz and J ϭ 66 with BWO-based spectrometers and sextic level centrifugal distortion constants in the rotational Hamiltonian have been determined for the ground state and three lowest vibrational fundamentals of pyrimidine.