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The deuteron quadrupole coupling constants of deuterium fluoride and deuterium chloride have been calculated for several wave-functions with extended basis sets using the Barnett and Coulson expansions to evaluate the necessary integrals. Values in DF of 363 ± 1 and 354 ±1 kc/sec at an internuclear distance of 0.917 Å were found from two wave-functions of Nesbet and 374 ± 10kc/sec at 0.915 Å from a one-centre wave-function of Moccia. In DCl, a wave-function of Scrocco and Tomasi gave a value of 213 ± 2 kc/sec. The agreement with experiment is discussed.
Dixon et al. (Mon,) studied this question.