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Microwave spectrum and quadrupole coupling constant tensor of chloroiodomethane

1987; Elsevier BV; Volume: 124; Issue: 1 Linguagem: Inglês

10.1016/0022-2852(87)90126-3

1096-083X

Ichiro Ohkoshi, Yuzuru Niide, Mitsuru Takano,

Atmospheric Ozone and Climate

The microwave spectrum of 35Cl and 37Cl species of chloroiodomethane was investigated in the frequency region of 9–35 GHz. The b-type R-branch and Q-branch transitions were assigned. The rotational constants of the ground state were determined to be A = 27 418.81 ± 0.10, B = 1621.879 ± 0.024, and C = 1545.730 ± 0.044 MHz for the 35Cl species; and A = 27 261.46 ± 0.16, B = 1562.240 ± 0.047, and C = 1491.008 ± 0.092 MHz for the 37Cl species. From the hyperfine splitting of the I, 35Cl, and 37Cl nuclei, the nuclear quadrupole coupling constants were determined to be χaa = −1404.5 ± 3.8, χbb = 383.4 ± 2.1, χcc = 1021.1 ± 4.3, and ∥χab∥ = 1176.5 ± 3.6 MHz of iodine; χaa = −26.8 ± 2.3, χbb = −11.0 ± 1.2, and χcc = 37.8 ± 2.6 MHz of 35Cl for the 35Cl species; χaa = −1423.2 ± 5.5, χbb = 389.1 ± 2.9, χcc = 1034.1 ± 6.2, and ∥χab∥ = 1170.2 ± 6.9 MHz of iodine; and χaa = −20.4 ± 3.3, χbb = −9.1 ± 1.8, and χcc = 29.5 ± 3.7 MHz of 37Cl for the 37Cl species, respectively. The centrifugal distortion constants were also determined using all of the assigned transitions. A brief discussion of the procedure for analyzing the quadrupole hyperfine structures of a molecule containing two quadrupolar nuclei is also provided.