Y. Ueno et al., Configurations of benzene and pyridine molecules adsorbed on graphitic surface of microporous carbon, J PHYS CH B, 104(30), 2000, pp. 7154-7162
The possible configurations of benzene and pyridine molecules adsorbed in m
icroporous carbon were analyzed by synchrotron radiation-excited soft X-ray
emission spectroscopy and by analyzing its spectral features using DV-XQ m
olecular orbital calculations. The distances between the adsorbed molecules
and the graphitic surface were estimated to be approximately 0.33 nm in bo
th benzene- and pyridine-adsorbed systems. Both molecular orientations were
also estimated to be almost parallel to the graphitic surface of microporo
us carbon. The electronic states of benzene and pyridine molecules adsorbed
on the graphitic surface were similar to those of individual nonadsorbed f
ree molecules. Therefore, the adsorption of benzene and pyridine molecules
in the microporous carbon can be confirmed to be physisorption, and there i
s little charge-transfer between the adsorbed molecules and the graphitic s
urface.