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Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/6926

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.
Citation: 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.
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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