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Determination of the heat of formation of ortho-benzyne by ion cyclotron resonance spectroscopy.

✍ Scribed by Steven K. Pollack; Warren J. Hehre


Book ID
107858209
Publisher
Elsevier Science
Year
1980
Tongue
French
Weight
341 KB
Volume
21
Category
Article
ISSN
0040-4039

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The equilibrium geometry, electronic str
✍ Marshall D. Newton; Howard A. Fraenkel πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 317 KB

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