|
Author(s) |
Thomas, S.; Biswas, N.; Venkateswaran, S.; Kapoor, S.; D'Cunha, R.; Mukherjee, T. (RC&CDD)
|
Source |
Chemical Physics Letters, 2005. Vol. 402: pp. 361-366 |
ABSTRACT
|
Raman,
infrared and SERS (on silver colloid) of akacid have been investigated.
The experimental Raman and infrared data is supported with DFT
calculations using B3LYP functional and 6-311G** and LANL2DZ basis sets.
The vibrational frequencies of the molecule and its silver complex were
computed at the optimized geometry and compared with the
experimental values. This is the first report on the vibrational
analysis of akacid, its anion and its silver complex. From the most
enhanced bands observed in the SERS spectrum as well as theoretical
calculations, it has been inferred that the molecule is chemisorbed to
the silver surface through the oxygen of the carboxylate group with
interactions from the nitro group and also the ring π-ectrons. |
|
|
|