The structures, vibrational frequencies, and infrared and Raman intensities of p-terphenyl have been calculated by the density functional theory method at the B3LYP/6-311CG\*\* level. On the basis of the results, the infrared and Raman spectra of p-terphenyl in solution and in the melt have been ana
Conformational analysis of p-terphenyl by vibrational spectroscopy
β Scribed by A. Ghanem; L. Bokobza; C. Noel; B. Marchon
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 854 KB
- Volume
- 159
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
On reaction with N,N-dichloro-t-butylamine or -cyclohexylamine in benzene at 0 "C, nickel tetracarbonyl evolves three moles of carbon monoxide per mole. A colorless precipitate ( I ) is formed that has a Ni:N ratio of 1 : 1 and is insoluble in the usual solvents. 2 RNClz + 2 Ni(CO)4 + 2 [RNClzNi(CO)
Infrared absolute band intensities of the nonplanar vibrations were measured for p-terphenyl in CS, solution in order to determine the molecular structure in the solution state. The normal coordinate treatments were carried out for the seven representative conformations of p-terphenyl due to the tor