THE POSITION OF DEUTERIUM IN THE HOD_N2O AS DETERMINED BY STRUCTURAL AND NUCLEAR QUADRUPOLE COUPLING CONSTANTS

Abstract

A recent investigation of the chem{HOD-N_2O} complex measuring the OH + OD excited band in the near-IR was completed by Foldes textit{et al}.footnote{F\"{o}ldes, T; Lauzin, C.; Vanfleteren, T.; Herman, M.; Li`{e}vin, J.; Didriche. K. High-resolution, near-infrared CW-CRDS and ab initio investigations of chem{N_2O-HDO}.textit{Mol. Phys.} textbf{2015}, textit{113(5)},473-482.} During this study, one of us (WAK) was contacted about the position of deuterium in the chem{HOD-N_2O} complex, as his group completed the original microwave study of chem{H_2O-N_2O} and its deuterated isotopologuesfootnote{Zolandz, D.; Yaron, D.; Peterson, K.I.; Klemperer, W. Water in weak interactions: The structure of the water-nitrous oxide complex. textit{J. Chem. Phys.} textbf{1992}, textit{97},2861.} in 1992. The results of this microwave study did not give the orientation of chem{HOD} in the complex, however, we present here a supplementary study to the original microwave work using a Balle-Flygare cavity instrument, attempting to determine the orientation of chem{HOD} relative to the chem{N_2O}. In addition to a Kraitchman and a least-squares inertial structure fit of the molecule, we present the nuclear quadrupole coupling tensor of deuterium to determine the position of chem{HOD} in the complex.