Articles you may be interested in Nature, geometry, and binding strength of the ammonia-hydrogen chloride dimer determined from the rotational spectrum of ammonium chloride vapor J. Chem. Phys. 88, 4694 (1988); 10.1063/1.453783The rotational spectrum and molecular properties of a hydrogenbonded complex formed between hydrogen cyanide and hydrogen chloride Ground state rotational spectra of the three isotopomers (CH 2 hO'" H 35 CI, (CH 2 hO'" H 31 CI, and (CH 2 hO'" D 35 CI of a short-lived hydrogen-bonded dimer have been detected in the reactive mixture of oxirane and hydrogen chloride by using a fast-mixing nozzle in conjunction with a Balle-Flygare Fourier-transform microwave spectrometer. Rotational constants, centrifugal distortion constants and Cl-nuclear quadrupole coupling constants were determined for each isotopomer. In particular, all four components Xaa' Xbb' X= and Xac of the coupling tensor were obtained. A detailed analysis of the rotational constants allows the conclusion that the dimer has C s symmetry, with a steeply pyramidal arrangement completed at oxygen by the hydrogen bond with HCI. Diagonalization of the complete Cl-nuclear quadrupole coupling tensor leads to the principal axis components XXX' XYY' and Xzz (where z is the HCI direction in the dimer). The angle of rotation a is the angle between the HCI (z) direction and the a-axis direction in the eqUilibrium conformation of the dimer. It is larger by ~ 10° than the angle r between the 0·· 'CI internuclear line and the principal inertial axis a in each case and implies that the hydrogen bond is bent by 180-0 =~16S from the collinear arrangement O"'H-Cl (0=0). The angle 180-0 and the angle cp=76.2° made by the 0" 'CI internuclear line with the extension of the oxirane local C 2 axis are interpreted in terms of a simple model of the hydrogen bond.
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