Electron Distribution in the Csngbnd;Cl Bonds of CH2Cl2and Derivation of Matrix Elements Offhyphen;Diagonal inJfor Two Quadrupolar Nuclei in an Asymmetric Rotor

摘要

The microwave spectrum of methylene chloride has been reinvestigated with the highhyphen;resolution spectrometer now available. The diagonal quadrupole coupling constants of Cl in CH2Cl235were remeasured under high resolution, giving khgr;aa=mdash;41.07plusmn;0.01 Mc, khgr;bb=1.24plusmn;0.02 Mc, and khgr;cc=+39.83plusmn;0.01 Mc. By using secondhyphen;order perturbation theory, the offhyphen;diagonal element khgr;abwas measured directly and was mdash;52plusmn;3 Mc. These results show that the Csngbnd;Cl bond in methylene chloride is not bent within an experimental error of 1deg;.Matrix elements offhyphen;diagonal inJ,of the quadrupole interaction Hamiltonian for two quadrupolar nuclei, are derived using Racah coefficients. TheI1equals;I2equals;32matrix elements are evaluated and listed in the Appendix.