Overlong C - C Single Bonds

Angewandte Chemie (International Edition in English)

Volumn 36, Issue 1-2, 1997, Pages 48-49

  Kaupp, Gerd ^a   Boy, Jürgen ^a  

^a UNIVERSITY OF OLDENBURG   (Germany)

Author keywords

Arenes; Bond theory; Carbon carbon linkages; Semiempirical calculations; Structure elucidation

Indexed keywords

EID: 0030797580     PISSN: 05700833     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.199700481     Document Type: Article

References (33)

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4. c) The PM3 value of 1.642 Å for 1 is considerably greater than that for stellatriene (1.616Å); MINDO/3 calculations gave a value of 1.61 Å for stellatriene, and an X-ray structure analysis values of 1.614 to 1.621 Å for a hydroxystellatriene: R. Gleiter, C. Sigwart, B. Kissler, Angew. Chem. 1989, 101, 1561; Angew. Chem. Int. Ed. Engl. 1989, 28, 1525; V. Siemund, H. Irngartinger, C. Sigwart, B. Kissler, R. Gleiter, Acta Crystallogr. Sect. C 1993, 49, 57.
5. c) The PM3 value of 1.642 Å for 1 is considerably greater than that for stellatriene (1.616Å); MINDO/3 calculations gave a value of 1.61 Å for stellatriene, and an X-ray structure analysis values of 1.614 to 1.621 Å for a hydroxystellatriene: R. Gleiter, C. Sigwart, B. Kissler, Angew. Chem. 1989, 101, 1561; Angew. Chem. Int. Ed. Engl. 1989, 28, 1525; V. Siemund, H. Irngartinger, C. Sigwart, B. Kissler, R. Gleiter, Acta Crystallogr. Sect. C 1993, 49, 57.
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32. - systems and definitely do not form single bonds (POAV/3D HMO theory).
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