A “Bernstein-McKean-Duncan” plot and the equilibrium geometry of monofluoroacetylene
✍ Scribed by P. Botschwina; S. Seeger
- Book ID
- 103211032
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 344 KB
- Volume
- 320
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
An accurate equilibrium geometry has been obtained for HCCF by combination of experimental and ab initio data at the CCSD(T) level: r,(CH) = 1. 1.1961 A and R\*,(CF) = 1.2765 A. Calculated and experimental spectroscopic constants for various isotopomers of monofluoroacetylene compare well with each
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