Molecular g Values, Magnetic Susceptibility Anisotropies, Molecular Quadrupole Moments, Diamagnetic and Paramagnetic Susceptibilities, and the Second Moment of the Electronic Charge Distribution in CHFO, CH2CHF, CF2CHF, CH3CH2F, and CH3CHF2

Abstract

The high-field rotational Zeeman effect has been observed in formyl fluoride (CHFO), vinyl fluoride (CH2CHF), trifluoroethylene (CF2CHF), ethyl fluoride (CH3CH2F), and 1, 1-difluoroethane (CH3CHF2). The signs and magnitudes of the magnetic susceptibility anisotropies [(2χaa − χbb − χcc) and (2χbb − χaa − χcc)] and the magnitudes of the molecular g values (gaa, gbb, and gcc) were obtained and are listed. Although only the relative signs of the g values could be obtained by experiment, the signs were determined through analysis of molecular quadrupole moments and the second moments of the electronic charge distribution. The molecular quadrupole moments (Qaa, Qbb, and Qcc) are also given. Using the magnetic susceptibility anisotropies, g values, the known structures, and the bulk susceptibilities, the diagonal elements of the paramagnetic, diamagnetic, and total susceptibility tensors were calculated along with the second moments of the electronic charge distribution.