An ab initio study of hydrogen complexes of the X-H … π type between acetylene and HF or HCl
✍ Scribed by Regiane C.M.U Araújo; João Bosco P da Silva; Mozart N Ramos
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 613 KB
- Volume
- 51
- Category
- Article
- ISSN
- 1386-1425
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Large-scale gaussian orbital SCF-MO results are reported for the title molecules. R,(X... H) and De(X...H) values are given, and in either case the complexes OC...HF and DC...HCl are more stable than the corresponding CO...HX complexes. The changes on electronic distribution on complex formation are
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## Abstract The structure and properties (geometric, energetic, electronic, spectroscopic, and thermodynamic properties) of HArF‐HOX (X = F, Cl, Br) complex have been investigated at the MP2/aug‐__cc__‐pVTZ level. Three types of complexes are formed through a hydrogen bond or a halogen bond. The HA