ROTATIONAL SPECTRUM AND STRUCTURE OF $H_{2}CO-HCl$
Loading...
Date
1987
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
Rotational spectra of $H_{2}CO-H_{35}CI, H_{2}CO-H_{37}CI, D_{2}CO-H_{35}CI$, and $D_{2}CO-H_{37}CI$ have been observed using a pulsed nozzle Fourier transform microwave spectrometer. For $H_{2}CO-H_{35}CI$ the following spectroscopic constants have been determined (in MHz): $B=2687.856(23), C=2527.412(23), \Delta J=0.0105(12), \Delta_{JK}=0.223(10), eQq_{aa}=-41.424(14)$ and $eQq_{bb}=14.106(19)$. The $HC_{l}$ subunit is bonded to the oxygen of the $H_{2}CO$ subunit through a non-linear hydrogen bond. For the $H_{2}CO-H^{35}C1$ complex, the distance between the centers of masses of the two units is 3.3487 A giving an O--Cl distance of 3.22 A. From the quadrupole coupling constant, $eQq_{aa}$, an effective vibrationally averaged angle between the HC1 axis and the axis of the complex is determined to be $30.5^{\circ}$. Centrifugal distortion analysis yields estimates of the weak bond stretching force constant and stretching frequency as 0.069(8) mdyn/A and $85(4) cm^{-1}$ respectively. The structural results are compared with the predictions of Buckingham and $Fowler^{1}$ from their electrostatic model.
Description
$^{1}$ A.D. Buckingham and P. W. Fowler, J. Chem. Phys. 79, 6426 (1983).
Author Institution: Molecular Spectroscopy Division, National Bureau of Standards; Department of Chemistry, Rensselaer Polytechnic Institute
Author Institution: Molecular Spectroscopy Division, National Bureau of Standards; Department of Chemistry, Rensselaer Polytechnic Institute