| Generalized Anomeric Effect on N-Alkyl-amino Cation Affinities: A G2(+)<sub>M</sub> Investigation. | |
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MedLine Citation:
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PMID: 22452350 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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The gas-phase N-alkyl-amino-cation affinities (NAACA) of archetypal anionic main-group element hydrides across the Periodic Table have been investigated by means of a modified G2(+) scheme. The reactions studied include R2NB --> R2N+ + B- (R = H, Me; B = XHn , n = 03, X = F, Cl, Br, O, S, Se, N, P, As, C, Si, Ge). Our calculations indicate that the reasonable linear correlations between NAACA and proton affinities (PA) only exist within the Period 2 anions, including H3C, H2N, HO, and F, or the anions within Periods 34 in the Periodic Table, which is significantly different from the alkyl cations affinities, where there is a reasonable correlation between the computed alkyl cations affinity and PA values of the set of anionic main-group element hydrides. The interesting differences can be ascribed to the generalized anomeric effect induced by n(N) -->sigma*(X-H) negative hyperconjugation found in R2NXHn, with central atom X belonging to Groups 14-16 (X = O, S, Se, N, P, As, C, Si, Ge). |
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Authors:
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Song Geng; Yi Ren; Ning-Bew Wong; Wai-Kee Li |
Publication Detail:
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Type: JOURNAL ARTICLE Date: 2012-3-28 |
Journal Detail:
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Title: The journal of physical chemistry. A Volume: - ISSN: 1520-5215 ISO Abbreviation: - Publication Date: 2012 Mar |
Date Detail:
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Created Date: 2012-3-28 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9890903 Medline TA: J Phys Chem A Country: - |
Other Details:
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Languages: ENG Pagination: - Citation Subset: - |
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