Affiliation:
1. 1Abteilung Chemische Physik im Institut für Physikalische Chemie der Universität Kiel, Kiel, FRG
Abstract
Abstract The nuclear quadrupole coupling of [35Cl,35Cl]- and [35Cl,37Cl]-sulfuryl chloride, SO2Cl2 was investigated using waveguide microwave Fourier transform (MWFT) spectroscopy. The analysis was performed with direct diagonalization of the Hamiltonian matrix. It was possible to determine the complete coupling tensor with high accuracy. SO235Cl2 : χaa ( 35Cl1) = χaa(35Cl2) = -33.049(6) MHz, χcc (35Cl1) = χcc (35Cl2) = 40.356 (9) MHz, χab (35Cl1) = - χab(35Cl2) = + 52.67 (63) MHz. SO235C137C1: xaa ( 35Cl)= -29.582(17) MHz, χcc(35Cl) = 40.340(25) MHz, χab(35Cl)= +52.3(14) MHz, χaa(37Cl)= -28.723(18) MHz, χcc(37Cl) = 31.822(28) MHz, χab,(37Cl) = + 37.3(19) MHz. We also determined the quadrupole coupling constants in their principal axes system. In comparison with the structure, the z-axis of the coupling tensor was found to be tilted 2.0° out off the S-Cl bond axis
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics
Cited by
6 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Microwave spectroscopic investigation of thionyl chloride, SOCl2: hyperfine constants and harmonic force field;J. Chem. Soc., Faraday Trans.;1994
2. Microwave spectrum of sulfuryl chloride fluoride, SO2ClF: structure, hyperfine constants and harmonic force field;J. Chem. Soc., Faraday Trans.;1994
3. Nuclear Quadrupole Coupling in the Rotational Spectrum of Thionyl Chloride;Zeitschrift für Naturforschung A;1992-11-01
4. 2.7.4.3 References for 2.7.4.2;Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Interaction Constants of Diamagnetic Molecules
5. No. 230 ClFO2S - No. 262 O3;Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Interaction Constants of Diamagnetic Molecules