Journal of Physical Chemistry & Biophysics
Open Access
ISSN: 2161-0398
+44 1478 350008
ISSN: 2161-0398
+44 1478 350008
Tsegaye Tadesse
Mizan Tepi University,
Tepi
Ethiopia
Research Article
Quantum Mechanical Study on the Effect of Solvent in the Properties of Benzophenone
Author(s): Tsegaye Tadesse
Tsegaye Tadesse
The effect of solvents on spectroscopic properties of benzophenone is analyzed using DFT/6-311G method. The data on effect of solvents is used to estimate excited state dipole moment using the theoretically determined ground state dipole moment. The excited state dipole moment determined by different methods is compared and analyzed. The excited state dipole moment of benzophenone is found to be greater than its corresponding ground state counterpart and, ground and excited state dipole moments are almost perpendicular to each other. The study was aimed to study the energy, molecular structure, vibrational spectra, HOMO-LUMO analysis dipole moment. The wavelength and intensity absorption bands are both affected when a molecule is solvent environment. This is due to unequal perturbation of the ground state and exited state. The vibrational frequencies determined experimentally were com.. View More»
DOI:
10.4172/2161-0398.1000259