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- W2085837863 abstract "The electrophilic/nucleophilic character of a series of captodative (CD) ethylenes involved in polar cycloaddition reactions has been studied using DFT methods at the B3LYP/6-31G(d) level of theory. The transition state structures for the electrophilic/nucleophilic interactions of two CD ethylenes toward a nucleophilically activated ethylene, 2-methylene-1,3-dioxolane, and an electrophilically activated ethylene, 1,1-dicyanoethyelene, have been studied, and their electronic structures have been characterized using both NBO and ELF methods. Analysis of the reactivity indexes of the CD ethylenes explains the reactivity of these species. While the electrophilicity of the molecules accounts for the reactivity toward nucleophiles, it is shown that a simple index chosen for the nucleophilicity, Nu, based on the HOMO energy is useful explaining the reactivity of these CD ethylenes toward electrophiles." @default.
- W2085837863 created "2016-06-24" @default.
- W2085837863 creator A5003203795 @default.
- W2085837863 creator A5003811690 @default.
- W2085837863 creator A5038768694 @default.
- W2085837863 date "2008-05-17" @default.
- W2085837863 modified "2023-10-14" @default.
- W2085837863 title "Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study" @default.
- W2085837863 cites W1499135031 @default.
- W2085837863 cites W1958068366 @default.
- W2085837863 cites W1964143567 @default.
- W2085837863 cites W1967952030 @default.
- W2085837863 cites W1967976946 @default.
- W2085837863 cites W1972958724 @default.
- W2085837863 cites W1976495225 @default.
- W2085837863 cites W1979594495 @default.
- W2085837863 cites W1980630522 @default.
- W2085837863 cites W1981158594 @default.
- W2085837863 cites W1986052213 @default.
- W2085837863 cites W1986327358 @default.
- W2085837863 cites W1990788626 @default.
- W2085837863 cites W1992173555 @default.
- W2085837863 cites W1993383767 @default.
- W2085837863 cites W1993430883 @default.
- W2085837863 cites W1996400924 @default.
- W2085837863 cites W1996430374 @default.
- W2085837863 cites W2002113402 @default.
- W2085837863 cites W2003301336 @default.
- W2085837863 cites W2005262695 @default.
- W2085837863 cites W2005284090 @default.
- W2085837863 cites W2011241123 @default.
- W2085837863 cites W2011529244 @default.
- W2085837863 cites W2012692947 @default.
- W2085837863 cites W2015684667 @default.
- W2085837863 cites W2022003485 @default.
- W2085837863 cites W2023271753 @default.
- W2085837863 cites W2026975368 @default.
- W2085837863 cites W2030905671 @default.
- W2085837863 cites W2032090941 @default.
- W2085837863 cites W2036857388 @default.
- W2085837863 cites W2037090671 @default.
- W2085837863 cites W2038583777 @default.
- W2085837863 cites W2038767330 @default.
- W2085837863 cites W2041206095 @default.
- W2085837863 cites W2041726370 @default.
- W2085837863 cites W2042944554 @default.
- W2085837863 cites W2044940020 @default.
- W2085837863 cites W2046532762 @default.
- W2085837863 cites W2049604351 @default.
- W2085837863 cites W2050170853 @default.
- W2085837863 cites W2052208234 @default.
- W2085837863 cites W2052512097 @default.
- W2085837863 cites W2055134017 @default.
- W2085837863 cites W2055565388 @default.
- W2085837863 cites W2057219622 @default.
- W2085837863 cites W2058205309 @default.
- W2085837863 cites W2058221878 @default.
- W2085837863 cites W2065270751 @default.
- W2085837863 cites W2068854976 @default.
- W2085837863 cites W2069144011 @default.
- W2085837863 cites W2069610895 @default.
- W2085837863 cites W2070281631 @default.
- W2085837863 cites W2075805883 @default.
- W2085837863 cites W2077616247 @default.
- W2085837863 cites W2079458939 @default.
- W2085837863 cites W2083293257 @default.
- W2085837863 cites W2083696465 @default.
- W2085837863 cites W2084952470 @default.
- W2085837863 cites W2085632911 @default.
- W2085837863 cites W2089759714 @default.
- W2085837863 cites W2092532828 @default.
- W2085837863 cites W2093914988 @default.
- W2085837863 cites W2094014451 @default.
- W2085837863 cites W2094667484 @default.
- W2085837863 cites W2101958915 @default.
- W2085837863 cites W2102000009 @default.
- W2085837863 cites W2110684791 @default.
- W2085837863 cites W2130065750 @default.
- W2085837863 cites W2133524519 @default.
- W2085837863 cites W2141133547 @default.
- W2085837863 cites W2141705345 @default.
- W2085837863 cites W2143981217 @default.
- W2085837863 cites W2144168070 @default.
- W2085837863 cites W2150379209 @default.
- W2085837863 cites W2153759920 @default.
- W2085837863 cites W2230728100 @default.
- W2085837863 cites W2315471309 @default.
- W2085837863 cites W2322902045 @default.
- W2085837863 cites W2327207371 @default.
- W2085837863 cites W2604905209 @default.
- W2085837863 cites W2951205944 @default.
- W2085837863 cites W2952048962 @default.
- W2085837863 cites W3009331727 @default.
- W2085837863 cites W4231649355 @default.
- W2085837863 cites W4235305658 @default.
- W2085837863 doi "https://doi.org/10.1021/jo800572a" @default.
- W2085837863 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18484771" @default.
- W2085837863 hasPublicationYear "2008" @default.