| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1410092 | Journal of Molecular Structure | 2011 | 12 Pages |
Abstract
⺠The title compound was synthesized in one step by an amine-anhydride reaction. ⺠The molecule form effective dihedral angles each other among three Ï-electron conjugated moieties. ⺠The vibrational spectra have been precisely ascribed to molecular structure. ⺠The theoretical first-order hyperpolarizabilities is twice magnitude of urea. ⺠A long-range electron transfer structure with energy gap of 3.895 eV is obtained by NBO and FMO analysis.
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Authors
Gang Sun, Yuxi Sun, Cheng Yu, Zengwei Liu, Changliang Huang, Laixiang Xu,