Ab initio calcu!ations at the SCF and CI level have been carried out for the singlet ground state of ortko-benzyne (1,2-del~ydrobenzenc) at a variety of Clv molecular geometries. The principal features of the equilibrium geometry arc: (1) an "acetylenic" ClC2 bond (1.22 A): (2) a C4Cs bond slightly
β¦ LIBER β¦
Structural and Rate Studies of the Formation of Substituted Benzynes
β Scribed by Riggs, Jason C.; Ramirez, Antonio; Cremeens, Matthew E.; Bashore, Crystal G.; Candler, John; Wirtz, Michael C.; Coe, Jotham W.; Collum, David B.
- Book ID
- 120709966
- Publisher
- American Chemical Society
- Year
- 2008
- Tongue
- English
- Weight
- 146 KB
- Volume
- 130
- Category
- Article
- ISSN
- 0002-7863
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