Electronic structure and photochemistry of the 2,5-distyrylpyrazine molecular crystal
β Scribed by N.M. Peachey; C.J. Eckhardt
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 357 KB
- Volume
- 188
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The single crystal spectra of2,5-distyrylpyrazine (DSP) were obtained in the frequency region of demonstrated photochemical activity. Two observed transitions, n-E* and ~-~*, are assigned at 23300 and 25400 cm ~, respectively. The lower energy transition is shown to be responsible for the reported photoreactivity leading to oligomers while the higher energy one leads to formation of a high polymer through an excitonic mechanism.
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The observation of superstructure re6ections indicating a (2Ψ2Ψ1) supercell of the simple anti-Fe 2 As structure type made it necessary to redetermine the crystal structure of LaTe 2 by single-crystal analysis. In contrast to former investigations revealing tetragonal or orthorhombic symmetry, our a
Semiempirical MNDO and PM3 molecular orbital calculations have been undertaken to study the structures of the ground and excited states of 2,5-distrylpyrazine dye to assess its activity as a laser dye. In the ground and first excited singlet states, the trans-trans structure of C symmetry is the mos