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Solvatochromic effects in the fluorescence of 2-aminoanthracene and N,N-dimethyl-2-aminoanthracene: A comparative study

✍ Scribed by Khalid A. Abdullah; Terence J. Kemp


Publisher
Elsevier Science
Year
1985
Weight
568 KB
Volume
30
Category
Article
ISSN
0047-2670

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Ab initio calculations at the HF/6-31G\* level have been carried out to determine the molecular structure of the isomers of GIN+ and SiCN+, followed by correlated calculations at the MP4 level. CNC+ and SiNC+ are found to be more stable than CCN+ and SiCN', respectively. Isomerization barriers of 29