| Autor: |
S. P. Ananthavel, Jayaraman Chandrasekhar, C. N. R. Rao, M.S. Hegde, Bishwajit Ganguly |
| Rok vydání: |
1994 |
| Předmět: |
|
| Zdroj: |
Chemical Physics Letters. 217:101-104 |
| ISSN: |
0009-2614 |
| DOI: |
10.1016/0009-2614(93)e1352-h |
| Popis: |
Electron states of the benzene...HCl complex have been studied by UV photoelectron spectroscopy. Two vertical ionization energies of the complex at 10.84 and 12.10 eV have been assigned to $\pi$ $C_6H_6$ and $n_{C1}$, orbitals, respectively. While the $\pi$ $C_6H_6$ orbital in the complex is shifted by 1.57 eV to higher binding energy, the $n_{C1}$ MO is shifted by 0.63 eV to lower binding energy with reference to the corresponding free benzene and HCl molecules. Ab initio MO calculations confirm these assignments. The toluene . . . HCl complex has also been studied. The larger shifts in then $\pi$ (1.90 eV) and $n_{C1}$ (0.88 eV) orbital energies in the toluene . HCl complex compared to those of the benzene . . . HCl complex are consistent with stronger $\pi$ hydrogen bonding in the case of toluene. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
|
