Rotamerism and intramolecular interactions of n-propyl halides and their partially and fully fluorinated derivatives. Electronic structure, topology and vibrational spectroscopy

Author:

Benassi Enrico,Fan Haiyan

Funder

Nazarbayev University

Publisher

Elsevier BV

Subject

Materials Chemistry,Physical and Theoretical Chemistry,Spectroscopy,Condensed Matter Physics,Atomic and Molecular Physics, and Optics,Electronic, Optical and Magnetic Materials

Reference74 articles.

1. Non-enzymatic and enzymatic hydrolysis of alkyl halides: A haloalkane dehalogenation enzyme evolved to stabilize the gas-phase transition state of an SN2 displacement reaction;Lightstone;Proc. Nat. Acad. Sci. USA,1997

2. Intensities in molecular electronic spectra X. Calculations on mixed-halogen, hydrogen halide, alkyl halide, and hydroxyl spectra;Mulliken;J. Chem. Phys.,1940

3. Gas-phase SN2 and E2 reactions of alkyl halides;DePuy;J. Am. Chem. Soc.,1990

4. The electronegativity of groups;Huheey;J. Phys. Chem.,1965

5. N.V. Beda, A.A. Nedospasov, Mechanism of perfluoroalkyl halide toxicity: Catalysis of perfluoroalkylation of reduced forms of cobalamin (vitamin B12).

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