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mostly a filled
ring and the LUMO+2 belongs to the
and therefore, this band can be attributed to
the calculated bands are in close agreement with the experimen-
p
bonding orbital centered on the chelated pyridine
*
p
orbital of the same ligand
*
p ? p transition. All
tally observed ones.
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The authors P.D. and A.K.P are grateful to the Department
of Science and Technology, New Delhi, for financial support
(SR/FTP/CS-119/2005 and SR/FTP/CS-85/2005). The services of
SAIF, IIT, Bombay, SAIF, CDRI, Lucknow and IIT, Kanpur were
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Appendix A. Supplementary material
Supplementary data associated with this article can be found, in
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