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Magnetic Circular Dichroism of Cyclic π-Electron Systems—19 by Mark A. Souto; Susan L. Wallace; Josef Michl is a Chemistry article available to read on EtoBox.

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The physical origin of magnetic circular dichroism of cyclic ,r-electron systems derived from a (4N + 2)-electron [n]annulene perimeter is briefly summarized and the use of the perimeter model for a back-of-theenvelope PMO prediction of absolute MCD signs of species derived from a charged perimeter is demonstrated on the case of the indenide anion and its various heterocycles which contain a heteroatom in position 1, such as indole. The spectra of analogs containing several heteroatoms, e.g. purine, are discussed, and the potential offered by MCD spectroscopy for the investigation of tautomerism and determination of protonation sites in heterocycles of this type is noted and exemplified on N-methylpurines. Magnetic circular dichroism of cyclic ,r-electron systems derived from a (4N + 2)-electron [n]annulene perimeter can be understood in simple terms, z" If N # 0 (Fig. 1), the ground state of an unperturlxal parent perimeter has two degenerate highest occupied molecular orbitals (HOMOs). Since they are degenerate, they can be chosen in the complex form. This is less familiar than the usual real form, but is useful to us at the moment, since it permits a description of net electron

Who reads Magnetic Circular Dichroism of Cyclic π-Electron Systems—19?

Author

Mark A. Souto; Susan L. Wallace; Josef Michl

Publisher

Elsevier Science; Elsevier ; Elsevier Ltd.; Elsevier BV (ISSN 0040-4020)

Published

1980

Language

EN

Field

Chemistry (Physical Sciences)