Molecular orbital quantities of conjugated ketenes and influence of structural variations on their electronic features

✍ Scribed by Masayuki Kuzuya; Fumio Miyake; Kaoru Kamiya; Takachiyo Okuda

• Publisher: Elsevier Science
• Year: 1982
• Tongue: French
• Weight: 266 KB
• Volume: 23
• Category: Article
• ISSN: 0040-4039
• DOI: 10.1016/s0040-4039(00)87404-3

✦ Synopsis

MO quantities by CND0/2 method on several valence isomeric ketenes and structurally corresponding allene molecules were calculated to evaluate the influence of structural feature on magnitude of back-donation of oxygen n-electrons in ketene, and to rationalize an unusual cycloaddition involved in diphenyl ketene.