Pure rotational spectrum of, and potential-energy surface for, the Ar–N2Van der Waals complex
- 1 January 1994
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Faraday Discussions
- Vol. 97, 105-118
- https://doi.org/10.1039/fd9949700105
Abstract
Pure rotational spectra of three isotopomers of the Van der Waals complex Ar–N2 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–14N2 and Ar–15N2 indicate equivalence of the nitrogen nuclei, and thus confirm C2v 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–N2 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.Keywords
This publication has 64 references indexed in Scilit:
- The microwave rotational spectrum of the Ar–CO dimerThe Journal of Chemical Physics, 1993
- Triatom: programs for the calculation of ro-vibrational spectra of triatomic moleculesComputer Physics Communications, 1993
- ErratumMolecular Physics, 1988
- Theoretical studies of van der Waals molecules and intermolecular forcesChemical Reviews, 1988
- Infrared spectra of the (N2)2 and N2–Ar van der Waals moleculesThe Journal of Chemical Physics, 1988
- New anisotropic potential energy surfaces for N2-Ne and N2-ArMolecular Physics, 1987
- Intermolecular potential functions for the Ne-N2interactionMolecular Physics, 1987
- High-resolution total differential cross sections for scattering of helium by O2, N2, and NOThe Journal of Chemical Physics, 1986
- Intermolecular forces via hybrid Hartree-Fock plus damped dispersion (HFD) energy calculations. Systems with small nonsphericity: argon-molecular hydrogen, neon-molecular hydrogen, and helium-molecular hydrogenThe Journal of Physical Chemistry, 1982
- The rotational and rotation‐vibrational Raman spectra of 14N2, 14N15N and 15N2Journal of Raman Spectroscopy, 1974