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Title: | Designing low-ionization potential analogs of tetrakis-dimethylaminoethylene (TMAE) using density functional calculations | Authors: | MARTIN, Jan Warshawsky, A. Breskin, A. Chechik, R. |
Issue Date: | 1997 | Publisher: | Elsevier Science B.V. | Source: | Chemical physics letters, 279(5-6). p. 389-395 | Abstract: | A number of analogs of the photosensitive molecule TMAE (tetrakis-dimethylamino-ethylene) have been investigated computationally with the goal of lowering the vertical ionization potential (IPv). This is of importance in UV-photodetectors based on gas photoionization and multiplication. The low IPv of TMAE, 6.11 eV, is shown to be due to resonance stabilization of the cation. N-substitution of phenyl groups and p-substitution of tertiary amines on the latter are found to be efficient ways of lowering IPv. The compound trans-bis-(p-dimethylaminophenyl, methyl)aminoethylene is calculated to have a IPv considerably lower than TMAE ( 5.5–5.7 eV) and appears to be a promising synthetic target. | Document URI: | http://hdl.handle.net/1942/6926 | DOI: | 10.1016/S0009-2614(97)01042-7 | Type: | Journal Contribution |
Appears in Collections: | Research publications |
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