Molecular Orbital Theory of Diamagnetism. V. Anisotropies of Some Aromatic Hydrocarbon Molecules
- 1 March 1965
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 42 (5) , 1560-1563
- https://doi.org/10.1063/1.1696161
Abstract
Molecular orbital theory is used to calculate the diamagnetic susceptibility contributions of local intraatomic currents in a series of polycyclic aromatic hydrocarbons. It is found that a considerable part of the excess diamagnetism perpendicular to the molecular plane is due to the anisotropy of these local terms so that the contribution of interatomic ring currents is less than has been believed previously. The theory also reproduces the trend for the in-plane susceptibility to be (numerically) greatest along the long axis of the molecule.Keywords
This publication has 12 references indexed in Scilit:
- Molecular Orbital Theory of Diamagnetism. IV. Anisotropic Properties of BenzeneThe Journal of Chemical Physics, 1964
- Molecular Orbital Theory of Diamagnetic Polarization. III. Anisotropic Properties of the Carbonate and Nitrate IonsThe Journal of Chemical Physics, 1963
- Molecular-Orbital Theory of Diamagnetism. I. An Approximate LCAO SchemeThe Journal of Chemical Physics, 1962
- The crystal and molecular structure of anthracene. II. Structure investigation by the triple Fourier series methodActa Crystallographica, 1950
- The crystal and molecular structure of naphthalene. I. X-ray measurementsActa Crystallographica, 1949
- Théorie quantique des courants interatomiques dans les combinaisons aromatiquesJournal de Physique et le Radium, 1937
- The Diamagnetic Anisotropy of Aromatic MoleculesThe Journal of Chemical Physics, 1936
- Diamagnetic anisotrophy of crystals in relation to their molecular structureProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1936
- IX—investigations on magne-crystallic action III—Further studies on organic crystalsPhilosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1935
- An X-ray analysis of the structure of chryseneProceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character, 1934