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|Title: ||Designing low-ionization potential analogs of tetrakis-dimethylaminoethylene (TMAE) using density functional calculations|
|Authors: ||MARTIN, Jan|
|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.|
|Type: ||Journal Contribution|
|Appears in Collections: ||Research publications|
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