The Journal of Organic Chemistry
ARTICLE
calculations were carried out with the time dependent density functional
theory (TD-DFT) with the optimized structure of the ground state (B3L
YP/6-31G(d)). There are no imaginary frequencies in frequency analysis of
all the calculated structures, therefore each calculated structure is a local
energy minimum.
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’ ASSOCIATED CONTENT
S
Supporting Information. Full chemical structures, crys-
b
tallographic data, photophysical spectra and lifetime measure-
ment, Cartesian coordinates, TDDFT calculation, and 1H /13C
NMR spectra. This material is available free of charge via the
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’ AUTHOR INFORMATION
Corresponding Author
*Fax: (þ)91-361-258-2324. E-mail: ssbag75@iitg.ernet.in.
’ ACKNOWLEDGMENT
The authors thank DST (SR/SI/OC-69/2008) and CSIR
[01(2330)/09/EMR-II], Govt. of India, for financial support. R.
K. thanks IIT Guwahati for a fellowship.
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