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Conformation, structure, intramolecular hydrogen bonding, and vibrational assignment of 4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione

✍ Scribed by Sayyed Faramarz Tayyari; Abdo-Reza Nekoei; Hedayat Rahemi


Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
880 KB
Volume
882
Category
Article
ISSN
0022-2860

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Structure and vibrational assignment of
✍ Sayyed Faramarz Tayyari; Atefeh Najafi; Raheleh Afzali; Saeedreza Emamian; Yan A πŸ“‚ Article πŸ“… 2008 πŸ› Elsevier Science 🌐 English βš– 535 KB

Molecular structure of 1-chloro-1,1-difluoro-pentane-2,4-dione (monochlorodifluoro-acetylacetone, CDFAA) has been investigated by means of ab initio and Density Functional Theory (DFT) calculations and the results were compared with those of 1,1,1-trifluoropentane-2,4-dione (trifluoro-acetylacetone,