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https://doi.org/10.5562/cca2291

An Analysis of Topological Ring-Currents and their Use in Assessing the Annulene-Within-an-Annulene Model for Super-Ring Conjugated Systems

T. K. Dickens ; University Chemical Laboratory, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, England, United Kingdom
R. B. Mallion ; School of Physical Sciences, University of Kent, Canterbury CT2 7NH, England, United Kingdom

Puni tekst: engleski, pdf (3 MB) str. 387-406 preuzimanja: 889* citiraj
APA 6th Edition
Dickens, T.K. i Mallion, R.B. (2013). An Analysis of Topological Ring-Currents and their Use in Assessing the Annulene-Within-an-Annulene Model for Super-Ring Conjugated Systems. Croatica Chemica Acta, 86 (4), 387-406. https://doi.org/10.5562/cca2291
MLA 8th Edition
Dickens, T. K. i R. B. Mallion. "An Analysis of Topological Ring-Currents and their Use in Assessing the Annulene-Within-an-Annulene Model for Super-Ring Conjugated Systems." Croatica Chemica Acta, vol. 86, br. 4, 2013, str. 387-406. https://doi.org/10.5562/cca2291. Citirano 12.04.2021.
Chicago 17th Edition
Dickens, T. K. i R. B. Mallion. "An Analysis of Topological Ring-Currents and their Use in Assessing the Annulene-Within-an-Annulene Model for Super-Ring Conjugated Systems." Croatica Chemica Acta 86, br. 4 (2013): 387-406. https://doi.org/10.5562/cca2291
Harvard
Dickens, T.K., i Mallion, R.B. (2013). 'An Analysis of Topological Ring-Currents and their Use in Assessing the Annulene-Within-an-Annulene Model for Super-Ring Conjugated Systems', Croatica Chemica Acta, 86(4), str. 387-406. https://doi.org/10.5562/cca2291
Vancouver
Dickens TK, Mallion RB. An Analysis of Topological Ring-Currents and their Use in Assessing the Annulene-Within-an-Annulene Model for Super-Ring Conjugated Systems. Croatica Chemica Acta [Internet]. 2013 [pristupljeno 12.04.2021.];86(4):387-406. https://doi.org/10.5562/cca2291
IEEE
T.K. Dickens i R.B. Mallion, "An Analysis of Topological Ring-Currents and their Use in Assessing the Annulene-Within-an-Annulene Model for Super-Ring Conjugated Systems", Croatica Chemica Acta, vol.86, br. 4, str. 387-406, 2013. [Online]. https://doi.org/10.5562/cca2291

Sažetak
The Hückel–London–Pople–McWeeny approach to calculating ring currents in conjugated
systems is considered in detail, especially the ‘topological’ variant of this formalism, particularly emphasised
during the last five years. A step-by-step account is given of how these calculations are effected in
practice, in such a way as to enable any interested reader to carry out these computations himself. The
method is illustrated by using it to assess the applicability of the so-called ‘Annulene-Within-an-Annulene
(AWA) Rule’ to ‘super-ring’ conjugated hydrocarbons — some in which the inner ring and outer perimeter
are ‘coupled’, and others in which they are ‘decoupled’. Compliance with the AWA model appears
more probable in decoupled super-ring structures than in coupled ones. The Appendix touches on previous
work involving Professor D. J. Klein, the honorand of this issue. (doi: 10.5562/cca2291)

Ključne riječi
topological ring-currents and bond-currents; graph theory; conjugated hydrocarbons; coupled and decoupled super-ring systems; annulene-within-an-annulene rule

Hrčak ID: 112761

URI
https://hrcak.srce.hr/112761

Posjeta: 1.188 *