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The structures and dipole moments of Arndash;PF3and Krndash;PF3

机译:The structures and dipole moments of Arndash;PF3and Krndash;PF3

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The complexes of PF3with Ar and Kr, were studied by Fourier transform microwave spectroscopy. The force constants and amplitudes of vibration for the van der Waals modes of the complexes and the average moments of inertia and structural parameters were estimated from the centrifugal distortion constants. The distance (Rc.m.)avebetween the rarehyphen;gas atom and the center of mass of PF3is 3.959 Aring; for the Ar complex and 4.077 Aring; for Kr while the angle (thgr;c.m.)avebetween theRc.m.vector and theC3axis of the PF3is 69.30deg; and 67.25deg;, respectively. The dipole moments of both complexes and of free PF3were determined. The induced dipole components estimated for the rare gas using electric fields fromabinitiocalculations of PF3agree with the experimental values for a conformation with the rare gas over a PF2face. The PF2face conformation is also consistent with the observed andabinitioestimates of the83Kr nuclear quadrupole coupling constant for the83Krndash;PF3species.

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