TY - JOUR
T1 - Resonance Raman studies of benzene derivatives with strong conjugation
T2 - Nitrile substitution
AU - Lueck, Horst B.
AU - Swinney, Tim C.
AU - Hudson, Bruce S.
AU - Friedrich, Donald M.
N1 - Funding Information:
also thank Professor Henning Hopf of the Technical University of Braunschweig for a gift of a mixture of 1,2,3-tricyanobenzene and 1,2,4-tricyanobenzene used for preliminary experiments. We thank Mark Thompson of the Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratories for providing us with the Argus 1.2 package \[21,22\], containing the INDO/S routine. This research was supported by NSF CHE 9503629. DMF acknowledges support by the US Department of Energy Office of Basic Energy Sciences, Chemical Sciences Division. Pacific Northwest National Laboratory is operated for the US Department of Energy by Bat-telle under contract DE-AC06-76RLO-1830.
PY - 1996/8/9
Y1 - 1996/8/9
N2 - Raman spectra in resonance with the La state of benzene derivatives exhibit activity in both the fundamental and two-quantum overtones of modes that are of e2g symmetry in benzene. The Raman spectra can be used to test proposals of Petruska that result in the conclusion that 1,2,3-trisubstituted benzenes should have La transitions with very small allowed transition moments. We find that nitrile substitution results in absorption and resonance Raman spectra that show deviations from Petruska's rules. The 1,2,3-tricyano derivative exhibits Raman spectra that demonstrate allowed transition character.
AB - Raman spectra in resonance with the La state of benzene derivatives exhibit activity in both the fundamental and two-quantum overtones of modes that are of e2g symmetry in benzene. The Raman spectra can be used to test proposals of Petruska that result in the conclusion that 1,2,3-trisubstituted benzenes should have La transitions with very small allowed transition moments. We find that nitrile substitution results in absorption and resonance Raman spectra that show deviations from Petruska's rules. The 1,2,3-tricyano derivative exhibits Raman spectra that demonstrate allowed transition character.
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U2 - 10.1016/0009-2614(96)00644-6
DO - 10.1016/0009-2614(96)00644-6
M3 - Article
AN - SCOPUS:0030576386
SN - 0009-2614
VL - 258
SP - 80
EP - 86
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-2
ER -