The equilibrium geometries of the molecules HBeNCX and HBeXCN (X=0, S) as well as HBeN, were calculated using second-order Meller-Plesset perturbation theory. The calculations predict linear frames for HBeNCX, HBeOCN and HBeNr; HBeSCN is bent. New, T-shaped isomer forms are predicted for beryllium-c
✦ LIBER ✦
The Structure of Pseudohalides-The Existence of a New Isomer
✍ Scribed by Veszpremi, Tamas; Pasinszki, Tibor; Feher, Miklos
- Book ID
- 127119047
- Publisher
- American Chemical Society
- Year
- 1994
- Tongue
- English
- Weight
- 475 KB
- Volume
- 116
- Category
- Article
- ISSN
- 0002-7863
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The structure of beryllium pseudohalides
✍
Tibor Pasinszki; Tamás Veszprémi; Miklós Fehér
📂
Article
📅
1993
🏛
Elsevier Science
🌐
English
⚖ 431 KB
The non existence of the 92mNb isomer
✍
H.E. Bosch; S.M. Abecasis; E. Ansaldo; A. Jech; M. Mariscotti
📂
Article
📅
1964
🏛
Elsevier Science
⚖ 141 KB
Structure of thionyl imides — the new is
✍
Tibor Pasinszki; Tamás Veszprémi; Miklós Fehér
📂
Article
📅
1996
🏛
Elsevier Science
🌐
English
⚖ 368 KB
Quantum-chemical evidence for the possib
✍
I. I. Zakharov; A. I. Kolbasin; O. I. Zakharova; I. V. Kravchenko; V. I. Dyshlov
📂
Article
📅
2008
🏛
Springer
🌐
English
⚖ 144 KB
The Non-existence of the “Third Isomer”
✍
Black, W. Bruce; Lutz, Robert E.
📂
Article
📅
1953
🏛
American Chemical Society
🌐
English
⚖ 286 KB
The ab initio equilibrium structures of
✍
Miklós Fehér; Tibor Pasinszki; Tamás Veszprémi
📂
Article
📅
1993
🏛
Elsevier Science
🌐
English
⚖ 515 KB
The equilibrium geometries of the germyl pseudohalides CieHJWX and GeH$CN (X=0, S and Se) have been obtained using 6-3 lG\*\*/MP2 calculations. It was found that the -XCN derivatives of germane are strongly bent, whereas their -NCX isomers are quasilinear or linear. The calculated barrier to lineari