Magnetic Circular Dichroism of Cyclic π-Electron Systems
- 1 January 1977
- journal article
- research article
- Published by Taylor & Francis in Spectroscopy Letters
- Vol. 10 (6) , 509-517
- https://doi.org/10.1080/00387017708065508
Abstract
While the simple PPP model accounts for the absolute signs of low-energy π∗ transitions in cyclic π-electron chromophores (numerous new examples of application to heterocycles are given), its greatest contribution lies in the formulation of simple general rules. The previously known mirror-image pairing theorem for charged alternant hydrocarbons and the soft-hard rule for substituent and heteroatom effects on cyclic π-systems are now complemented by a ΔHOMO-ΔLUMO rule which permits prediction of the absolute sign of the lowest energy B term in cyclic π-systems which are formally related to an annulene containing 4N+2 electrons.Keywords
This publication has 13 references indexed in Scilit:
- Electronic states of acenaphthylene. Linear dichroism in stretched polyethylene and magnetic circular dichroismJournal of the American Chemical Society, 1976
- Use of semi-empirical models for calculation of B terms in MCD spectra. Aromatic hydrocarbons: prediction of substituent and heteroatom effects from PPP modelChemical Physics Letters, 1976
- Magnetic Circular Dichroism of Molecules in Dense Media: Relation Between Magnetic Circular Dichroism and Hammett's ConstantsProceedings of the National Academy of Sciences, 1975
- Azulene: polarized absorption in stretched polymers and magnetic circular dichroismChemical Physics, 1974
- Use of semiempirical models for calculation of B terms in MCD spectra. II. The Pariser-Parr-Pople (PPP) model: A consequence of the pairing symmetry in π systems with alternant skeletonsThe Journal of Chemical Physics, 1974
- Use of semiempirical models for calculation of B terms in MCD [magnetic circular dichroism] spectra. I. General results and the Pariser-Parr-Pople (PPP) model for nonalternant hydrocarbonsJournal of the American Chemical Society, 1974
- Molecular Orbital Calculations of Magnetic Circular Dichroism Spectra: A Benzene-Indole SequenceProceedings of the National Academy of Sciences, 1973
- Theorem Useful for Interpretation of Magnetic Circular Dichroism SpectraThe Journal of Chemical Physics, 1972
- Magnetic Optical ActivityAnnual Review of Physical Chemistry, 1966
- Classification of Spectra of Cata-Condensed HydrocarbonsThe Journal of Chemical Physics, 1949