# Knowledge Bank

## University Libraries and the Office of the Chief Information Officer

The Knowledge Bank is scheduled for regular maintenance on Sunday, April 20th, 8:00 am to 4:00 pm EDT. During this time users will not be able to register, login, or submit content.

# THE STRUCTURE OF $Kr-PF_{3}$ DETERMINED FROM THE NUCLEAR QUADRUPOLE COUPLING CONSTANTS OF $^{83}Kr-PF_{3}$

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/17772

Files Size Format View
1989-FB-09.jpg 76.61Kb JPEG image

 Title: THE STRUCTURE OF $Kr-PF_{3}$ DETERMINED FROM THE NUCLEAR QUADRUPOLE COUPLING CONSTANTS OF $^{83}Kr-PF_{3}$ Creators: Taleb-Bendiab, A.; Labarge, M. S.; Hillig, K. W., II; Kuczkowski, R. L. Issue Date: 1989 Abstract: The $^{83}Kr$ nuclear quadrupole coupling constants were measured for the $Kr-PF_{3}$ complex using a FTMW spectrometer. These values were compared with those expected from the Sternheimer equation $q_{i} = q_{i} (1--- \gamma_{\infty})$ for four possible structures which are consistent with the rotational constants. The value of $q_{i}^{\circ}$ (field gradient arising from $PF_{3}$) for each structure was calculated using GAUSSIAN86 for free $PF_{3}$. Information on $\gamma_{\infty}$ (Sternheimer shielding factor) necessary for the analysis was obtained by comparison with other $^{83}{Kr}$ complexes in the literature. The conclusion was that only one structure is consistent with the quadrupole coupling constants viz the conformation placing the Kr over a $PF_{2}$ face. A comparison between ab initio calculations and a multipole expansion approximation to estimate the electric field gradient at the rare gas site in van der Waals complexes will be presented. URI: http://hdl.handle.net/1811/17772 Other Identifiers: 1989-FB-9