Submillimeter-Wave Spectra of H2Cl+ and its Isotopic Species: Molecular Structure

✍ Scribed by Mitsunori Araki; Takashi Furuya; Shuji Saito

• Publisher: Elsevier Science
• Year: 2001
• Tongue: English
• Weight: 77 KB
• Volume: 210
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.2001.8450

✦ Synopsis

The rotational spectra of HD 35 Cl + , H 2 35 Cl + , and H 2 37 Cl + were measured in the frequency region of 180 to 550 GHz with a source-modulated submillimeter-wave spectrometer. The ions were generated in a free space absorption cell by a hollow-cathode discharge in a gas mixture of Cl 2 and He to which H 2 and/or D 2 was added. Precise molecular constants including the electric quadrupole coupling constants were determined for the three species. The zero-point average structure, r z , was calculated from moments of inertia corrected for harmonic terms. The harmonic force field of H 2 Cl + was derived from previously estimated harmonic vibrational frequencies and inertial defects. The r z structures obtained are r z (Cl-H) = 1.320 57( 48) A and θ z (H-Cl-H) = 94.238(72) • for H 2 35 Cl + and r z (Cl-H) = 1.320 60(38) A and θ z (H-Cl-H) = 94.239(58) • for H 2 37 Cl + , where values in parentheses indicate errors due to residual inertial defects among the corrected moments of inertia. When the θ z of HD 35 Cl + is assumed to be the same as that of H 2 35 Cl + , the r z (Cl-H) and r z (Cl-D) lengths of HD 35 Cl + are calculated to be 1.320 69(69) A and 1.316 54(111) A , respectively.