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Femtosecond Fluorescence Study of the Substitution Effect on the Proton Transfer in Thermochromic Salicylideneaniline Crystals

โœ Scribed by Sekikawa, Taro; Kobayashi, Takayoshi; Inabe, Tamotsu


Book ID
127197906
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
154 KB
Volume
101
Category
Article
ISSN
1089-5639

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โœ Fabio Pichierri ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 264 KB

The effect of fluorine substitution on the proton transfer barrier (DE PT ) of malonaldehyde (1) has been investigated with the aid of density functional theory (DFT) calculations carried out at the B3LYP/cc-pVTZ level of theory. The results indicate that fluorine substitution in 1 increases the ene