Density of vibrational states in trans-polyene: comparison with the infrared, Raman and neutron spectra of trans-polyacetylene
โ Scribed by Hideo Takeuchi; Tsutomu Arakawa; Yukio Furukawa; Iseei Harada; Hideki Shirakawa
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 956 KB
- Volume
- 158
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
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## Raman spectra of St tnns-stilbcnc and its deutcrotcd nnalogucs were obscrvcd. Assignments of the three olcfinic vihrations have been made on the basis of the isotopic Crcquency shifts. The St Raman spectrn arc intcrpretcd according to the newly cstablishcd vibrational assignments, which arc dif
The potential energy curves and changes in electronic structures along a coordinate consisting of C=C stretching and C-C shrinking are examined for the 1 tAg and 2 tAg states of trans-polyenes ranging from hexatriene to dodecahexaene by the ab initio molecular orbital method. The shapes of the calcu