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Article: Bond Alternation in Triannelated Benzenes: Dissection of Cyclic π from “Mills-Nixon” Effects

TitleBond Alternation in Triannelated Benzenes: Dissection of Cyclic π from “Mills-Nixon” Effects
Authors
Baldridge, Kim K.Siegel, Jay S.
Issue Date1992
Citation
Journal of the American Chemical Society, 1992, v. 114, n. 24, p. 9583-9587 How to Cite?
DOI: http://dx.doi.org/10.1021/ja00050a043
AbstractThe structures of a number of triannelated benzenes are calculated at the ab initio 6-31G(D) and local density functional levels of theory. Their structures are discussed in terms of ring strain and cyclic π effects. The results offer no evidence for the “Mills–Nixon” postulate in simple annelated benzenes. A new motif in bond-alternating benzenes is proposed. © 1992, American Chemical Society. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/341441
ISSN
0002-7863
2023 Impact Factor: 14.4
2023 SCImago Journal Rankings: 5.489
ISI Accession Number ID
WOS:A1992JZ23600043

 

DC FieldValueLanguage
dc.contributor.authorBaldridge, Kim K.-
dc.contributor.authorSiegel, Jay S.-
dc.date.accessioned2024-03-13T08:42:50Z-
dc.date.available2024-03-13T08:42:50Z-
dc.date.issued1992-
dc.identifier.citationJournal of the American Chemical Society, 1992, v. 114, n. 24, p. 9583-9587-
dc.identifier.issn0002-7863-
dc.identifier.urihttp://hdl.handle.net/10722/341441-
dc.description.abstractThe structures of a number of triannelated benzenes are calculated at the ab initio 6-31G(D) and local density functional levels of theory. Their structures are discussed in terms of ring strain and cyclic π effects. The results offer no evidence for the “Mills–Nixon” postulate in simple annelated benzenes. A new motif in bond-alternating benzenes is proposed. © 1992, American Chemical Society. All rights reserved.-
dc.languageeng-
dc.relation.ispartofJournal of the American Chemical Society-
dc.titleBond Alternation in Triannelated Benzenes: Dissection of Cyclic π from “Mills-Nixon” Effects-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/ja00050a043-
dc.identifier.scopuseid_2-s2.0-0001033243-
dc.identifier.volume114-
dc.identifier.issue24-
dc.identifier.spage9583-
dc.identifier.epage9587-
dc.identifier.eissn1520-5126-
dc.identifier.isiWOS:A1992JZ23600043-

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