Analysis of peculiarities of the SEHRS and SERS spectra of 4,4′-Bipyridine molecule on the base of the dipole-quadrupole theory

[Display omitted] •Here we analyze the SEHRS and SERS spectra of 4,4′-Bipyridine.•The considered symmetry groups of the molecule are D2 or D2h.•There are the lines, caused by vibrations with the unit irreducible representation.•In addition there are the lines with the A or Ag and B1 or B1u symmetry....

Full description

Saved in:
Bibliographic Details
Published in:Chemical physics letters 2016-10, Vol.662, p.208-213
Main Authors: Golovin, A.V., Polubotko, A.M.
Format: Article
Language:English
Subjects:
Forbidden lines
Nearly degenerate states
Quadrupole
SEHRS
SERS
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:[Display omitted] •Here we analyze the SEHRS and SERS spectra of 4,4′-Bipyridine.•The considered symmetry groups of the molecule are D2 or D2h.•There are the lines, caused by vibrations with the unit irreducible representation.•In addition there are the lines with the A or Ag and B1 or B1u symmetry.•They can be assigned to the same line simultaneously. The SEHRS and SERS spectra analysis of 4,4′-Bipyridine indicated existence of strong lines with vibrations transforming after a unit irreducible representation for probable geometries with D2 and D2h symmetry groups. They are associated with a strong quadrupole light – molecule interaction existing in this system. In addition, there are the lines caused by contributions from both the vibrations transforming after the unit irreducible representations A or Ag and the representations B1 and B1u. This result is associated with the molecule geometry, when the indicated vibrations can be nearly degenerated and cannot be resolved by the SEHRS and SERS spectra analysis.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2016.09.047