✦ LIBER ✦

Changes in the electronic structures of trans-polyenes in the 1 1Ag and 2 1Ag states induced by molecular vibrations

✍ Scribed by Hajime Torii; Mitsuo Tasumi

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 419 KB
Volume: 260
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(96)00794-4

No coin nor oath required. For personal study only.

✦ Synopsis

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 calculated potential energy curves of the 1 lAg state indicate that they evolve into the double-minimum potential energy curve of trans-polyacetylene. It is likely that the character of the 2 ZAg state in a short polyene is transferred to one of the potential energy minima in the 1 tAg state of a long polyene.

📜 SIMILAR VOLUMES

Correlation between the frequency of the

Correlation between the frequency of the Franck-Condon active CC ag stretch vibration and the excitation energy of the 1Bu electronic state in polyenes

✍ Francesco Zerbetto; Marek Z. Zgierski; Giorgio Orlandi 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 376 KB

The molecular structure of 1,1,1-trimeth

The molecular structure of 1,1,1-trimethoxyethane in the gas phase as determined by electron diffraction, molecular mechanics calculations and vibratio

✍ A. Spelbos; F.C. Mijlhoff; G.H. Renes 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 804 KB

The molecular structure and pseudorotati

The molecular structure and pseudorotational motion of trans-1,2-dimethylcyclopentane as determined by gas-phase electron diffraction

✍ Q. Shen; J.R. Kingsley; R.L. Hilderbrandt 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 391 KB

The molecular structure and conformation

The molecular structure and conformation of trans-1,2,3-trichloropropene as determined by gas-phase electron diffraction

✍ Quang Shen 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 347 KB

Investigation of the energy and vibratio

Investigation of the energy and vibrational structure of the inner shell (1s)−1(π2p)1Π state of the nitrogen molecule by electron impact with high resolution

✍ George C. King; Frank H. Read; Michel Tronc 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 507 KB

The vibrational structure of the (Is)-' (r;2p)' Il inner shell excited state of Nz has been observed, enabling the decay wdfh and the shape of the potcntlal iunction of the state to bc dcduccd. 1hc v&dlty of the equivalent cure model is discussed.

The 2 1Ag− state and two additional low-

The 2 1Ag− state and two additional low-lying electronic states of spheroidene newly identified by fluorescence and fluorescence-excitation spectroscopy at 170 K

✍ Yasutaka Watanabe; Tadayuki Kameyama; Yousuke Miki; Michitaka Kuki; Yasushi Koya 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 629 KB

Fluorescence and fluorescence-excitation spectroscopy of spheroidene at 170 Kin n-hexane, CSz, and their mixtures has identified the 2 'tL\_ state (level I) and two additional electronic states, i.e. one below (level II) and the other above (level IV) the optically allowed 'B: state (level III). The