Theoretical Study on the Weak-interaction of Na-Furan Charge Transfer Complex with Density Functional Theory
- Received Date: 2000-06-05
- Na-furan charge transfer complex, ab initio, B3LYP/6-311+G*, Binding energy, Intermolecular weak interaction /
Abstract: The SO2absorption spectrum is recorded using Xe lamp source under atmospheric conditions at ambient temperatures. The SO2concentration is retrieved to study the relation between SO2concentration and time. In this experiment, effects of temperature and the buffer gas N2are also considered. It is demonstrated that the concentration of SO2decreases in a linear relation to the time and the period of illumination may have effects on the rate of decrease. These results are applicable to SO2pollution monitoring in the atmosphere using high resolution spectrometer and differential absorption lidar.
|Citation:||Zhang Chong, Bu Yuxiang. Theoretical Study on the Weak-interaction of Na-Furan Charge Transfer Complex with Density Functional Theory[J]. Chinese Journal of Chemical Physics , 2001, 14(1): 75-82. doi: 10.1088/1674-0068/14/1/75-82|