The Pure Rotational Spectrum And Hyperfine Structure Of Cf Studied By Laser Magnetic Resonance

Laser magnetic resonance spectra have been measured for four rotational transitions and one spin-changing transition in the 2Π ground state of CF, generated in an intracavity methane-fluorine flame. From a detailed analysis of the Zeeman hyperfine structure of the J = 9/2→11/2 transition in the Ω = 3/2 spin component the hyperfine constants h, b, and d as well as B0 and q0 have been determined. Using these fitted parameters in conjunction with ab initio results, the values of 〈l/r 3〉, 〈(3 cos2θ - l)/r3〉, |φ2(0)|, and 〈(sin2θ)/r3〉, averaged over the unpaired electron distribution, have been determined. Comparison of these integrals with those of the fluorine atom indicates that the unpaired electron has approximately 18% F character, implying a substantial degree of double bonding. © 1982 American Institute of Physics.771586

Tunneling dynamics, symmetry, and far-infrared spectrum of the rotating water trimer. II. Calculations and experiments

Contains fulltext : 6823.pdf (publisher's version ) (Open Access

Close coupling results for inelastic collisions of NH3 and Ar: a stringent test of a spectroscopic potential

Contains fulltext : 6839.pdf (publisher's version ) (Open Access

Nitrogen quadrupole coupling constants for HCN and H2CN +: Explanation of the absence of fine structure in the microwave spectrum of interstellar H2CN+

Nitrogen 14 quadrupole coupling constants for H2CN+ and HCN are predicted via ab initio self-consistent-field and configuration interaction theory. Effects of electron correlation, basis set completeness, and geometrical structure on the predicted electric field gradients are analyzed. The quadrupole coupling constant obtained for H2CN+ is one order of magnitude less than in HCN, providing an explanation for the experimental fact that the fine structure of the microwave spectrum of H 2CN+ has not been resolved. This research also allows a reliable prediction of the nuclear quadrupole moment of 14N, namely Q(14N)=2.00×10-26 cm2. © 1986 American Institute of Physics.Fil:Scuseria, G.E. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina