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- Publisher Website: 10.1021/ja00121a006
- Scopus: eid_2-s2.0-0001041086
- WOS: WOS:A1995QV14700006
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Article: The Central Bond Length in 1,2-Diarylethanes
Title | The Central Bond Length in 1,2-Diarylethanes |
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Authors | |
Issue Date | 1995 |
Citation | Journal of the American Chemical Society, 1995, v. 117, n. 16, p. 4479-4482 How to Cite? |
Abstract | The structures of several vicinal diarylethanes are determined by X-ray crystallography and calculated by Hartree-Fock ab initio computations. The structure of the general class of 1,2-diarylethanes is discussed, and a “standard molecular fragment” is derived from a search of the Cambridge Structural Database. The anomalously short Csp3-Csp3 (central) bond reported for the parent 1,2-diphenylethane and some derivatives is not representative of the average molecular geometry derived from the database and is likely an experimental artifact. High-level split valence ab initio calculations predict a normal (1.54 Å) bond length for C2h1,2-diphenylethane. © 1995, American Chemical Society. All rights reserved. |
Persistent Identifier | http://hdl.handle.net/10722/341494 |
ISSN | 2023 Impact Factor: 14.4 2023 SCImago Journal Rankings: 5.489 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Kahr, Bart | - |
dc.contributor.author | Mitchell, Christine A. | - |
dc.contributor.author | Chance, Jeffrey M. | - |
dc.contributor.author | Clark, Russel Vernon | - |
dc.contributor.author | Gantzel, Peter | - |
dc.contributor.author | Baldridge, Kim K. | - |
dc.contributor.author | Siegel, Jay S. | - |
dc.date.accessioned | 2024-03-13T08:43:14Z | - |
dc.date.available | 2024-03-13T08:43:14Z | - |
dc.date.issued | 1995 | - |
dc.identifier.citation | Journal of the American Chemical Society, 1995, v. 117, n. 16, p. 4479-4482 | - |
dc.identifier.issn | 0002-7863 | - |
dc.identifier.uri | http://hdl.handle.net/10722/341494 | - |
dc.description.abstract | The structures of several vicinal diarylethanes are determined by X-ray crystallography and calculated by Hartree-Fock ab initio computations. The structure of the general class of 1,2-diarylethanes is discussed, and a “standard molecular fragment” is derived from a search of the Cambridge Structural Database. The anomalously short Csp3-Csp3 (central) bond reported for the parent 1,2-diphenylethane and some derivatives is not representative of the average molecular geometry derived from the database and is likely an experimental artifact. High-level split valence ab initio calculations predict a normal (1.54 Å) bond length for C2h1,2-diphenylethane. © 1995, American Chemical Society. All rights reserved. | - |
dc.language | eng | - |
dc.relation.ispartof | Journal of the American Chemical Society | - |
dc.title | The Central Bond Length in 1,2-Diarylethanes | - |
dc.type | Article | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1021/ja00121a006 | - |
dc.identifier.scopus | eid_2-s2.0-0001041086 | - |
dc.identifier.volume | 117 | - |
dc.identifier.issue | 16 | - |
dc.identifier.spage | 4479 | - |
dc.identifier.epage | 4482 | - |
dc.identifier.eissn | 1520-5126 | - |
dc.identifier.isi | WOS:A1995QV14700006 | - |