- 作者: --
- 作者服務機構: Escuela de Quimica, Universidad de Costa Rica, Ciudad Universitaria Rodrigo Facio, San Pedro de Montes de Oca, San Jose 2060, Costa Rica
- 中文摘要: We fitted published frequency and wave number data for pure rotational and vibration-rotational spectra, respectively, of 23Na35Cl and 23Na37Cl to derive parameters related to potential energy and to the rotational g factor. For comparison with these experimental data we undertook quantum-chemical computation of adiabatic corrections, rotational and vibrational g factors, electric dipolar moment and its derivative as a function of internuclear distance in a range near Re as a test of an algebraic approach to spectral analysis; experimental, 0.0287 ± 0.0014, and calculated, 0.02149, values of gr at Re are in moderate agreement. The combined results are discussed from a point of view of computational spectrometry.
- 英文摘要: --
- 中文關鍵字: Spectral analysis; Vibration-rotational spectra; Quantum-chemical calculations; Computational spectrometry; Rotational and vibrational g factors.
- 英文關鍵字: --