A Theoretical Study of α-CFnH3-n -substituted Cyclopropyl Cations
1990 ◽
Vol 45
(5)
◽
pp. 730-732
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Abstract MINDO-forces calculations are performed, with complete optimization of geometries, on α-Xcyclopropylcations, where X is CF3 , CF2H, and CFH2. It was found that the fluorine atom interacts with the localized empty Pπ-type orbital on α-carbon atom and forms a bridge with an angle 57.1 degree. Calculations also are performed on CF3-cyclopropyl anion and CF2H-cyclopropenyl cation. The fluorine atom in CF3 and CF2H shows no such interaction with the a-carbon atom because there is no localized empty Prc-type orbital
2020 ◽
Vol 2018
(1)
◽
pp. 68-77
1991 ◽
Vol 46
(3)
◽
pp. 247-255
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2018 ◽
Vol 20
(16)
◽
pp. 10806-10814
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Keyword(s):
1986 ◽
pp. 1701
◽
1985 ◽
Vol 107
(15)
◽
pp. 4415-4419
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Keyword(s):