|Title||PURE ROTATIONAL SPECTRUM OF, AND POTENTIAL-ENERGY SURFACE FOR, THE AR-N-2 VAN-DER-WAALS COMPLEX|
|Publication Type||Journal Article|
|Year of Publication||1994|
|Authors||Jager, W, Gerry, MCL, Bissonnette, C, McCourt, FRW|
|Type of Article||Proceedings Paper|
|Keywords||AR, CALCULATIONS, ELASTIC-SCATTERING MEASUREMENTS, FOCK SCF, INFRARED-SPECTRUM, INTER-MOLECULAR FORCES, INTERMOLECULAR FORCES, N2-AR, RANGE DISPERSION COEFFICIENTS, TRANSFORM MICROWAVE SPECTROSCOPY, VANDERWAALS MOLECULES|
Pure rotational spectra of three isotopomers of the Van der Waals complex Ar-N-2 have been investigated in the frequency range 3.5-20 GHz, using a pulsed molecular beam cavity microwave Fourier-transform spectrometer. Rotational constants and quartic and sextic centrifugal distortion constants have been obtained, along with N hyperfine constants. The spectra of Ar-N-14(2) and Ar-N-15(2) indicate equivalence of the nitrogen nuclei, and thus confirm C-2v symmetry for the complexes. The measured transition frequencies and the derived constants have been used to test the best available literature potential-energy surfaces for the Ar-N-2 interaction. For this purpose rotational transition frequencies and expectation values of other properties were calculated and compared with the corresponding values from the microwave experiments. A refined version of one of the surfaces has been generated by inclusion of the microwave results.
|URL||<Go to ISI>://A1994QB09300009|