Matches in SemOpenAlex for { <https://semopenalex.org/work/W2062369922> ?p ?o ?g. }
- W2062369922 endingPage "6504" @default.
- W2062369922 startingPage "6499" @default.
- W2062369922 abstract "The anomeric effect has been analyzed theoretically by adopting a simple model molecule, CH2ClOH. The total energy has been found at its minimum when the Cl−C−O−H dihedral angle is 66° (gauche-staggered conformation). By representing the wave function of the molecule in terms of the MOs of two fragments, we demonstrate that the oxygen p-type lone-pair orbital participates in electron donation to the C−Cl σ* orbital in a wide range of the Cl−C−O−H dihedral angle. In contrast, a hybrid of s and p atomic orbitals of the oxygen interacts with the C−Cl σ* orbital in the antiperiplanar (or anti-staggered) conformation. Electron delocalization is depressed in the anti conformation. The orbital interaction interprets consistently the shortened C−O bond and the elongated C−Cl bond in CH2ClOH in the gauche-staggered conformation. The magnitude of the stabilization due to the effect has been estimated by using the fragment interaction orbitals, supporting the significance of electron delocalization in explaining the..." @default.
- W2062369922 created "2016-06-24" @default.
- W2062369922 creator A5030906764 @default.
- W2062369922 creator A5048588199 @default.
- W2062369922 creator A5051131902 @default.
- W2062369922 creator A5066425223 @default.
- W2062369922 creator A5082277523 @default.
- W2062369922 date "2000-06-16" @default.
- W2062369922 modified "2023-10-11" @default.
- W2062369922 title "Theoretical Study of the Anomeric Effect in CH<sub>2</sub>ClOH" @default.
- W2062369922 cites W134978290 @default.
- W2062369922 cites W1492116461 @default.
- W2062369922 cites W1566091782 @default.
- W2062369922 cites W1650728208 @default.
- W2062369922 cites W1963481497 @default.
- W2062369922 cites W1964587503 @default.
- W2062369922 cites W1971866628 @default.
- W2062369922 cites W1975084378 @default.
- W2062369922 cites W1976325797 @default.
- W2062369922 cites W1980855716 @default.
- W2062369922 cites W1981909016 @default.
- W2062369922 cites W1982562495 @default.
- W2062369922 cites W1987553034 @default.
- W2062369922 cites W1989389552 @default.
- W2062369922 cites W1990078978 @default.
- W2062369922 cites W1991430748 @default.
- W2062369922 cites W1991847724 @default.
- W2062369922 cites W1995295264 @default.
- W2062369922 cites W1998694856 @default.
- W2062369922 cites W2004037103 @default.
- W2062369922 cites W2004935646 @default.
- W2062369922 cites W2004973665 @default.
- W2062369922 cites W2005540985 @default.
- W2062369922 cites W2007154619 @default.
- W2062369922 cites W2007737699 @default.
- W2062369922 cites W2010830164 @default.
- W2062369922 cites W2015873820 @default.
- W2062369922 cites W2020247519 @default.
- W2062369922 cites W2022950330 @default.
- W2062369922 cites W2023506606 @default.
- W2062369922 cites W2027102040 @default.
- W2062369922 cites W2030286780 @default.
- W2062369922 cites W2032659927 @default.
- W2062369922 cites W2032756923 @default.
- W2062369922 cites W2035379576 @default.
- W2062369922 cites W2035778062 @default.
- W2062369922 cites W2037262899 @default.
- W2062369922 cites W2038416698 @default.
- W2062369922 cites W2041385104 @default.
- W2062369922 cites W2041748978 @default.
- W2062369922 cites W2043014601 @default.
- W2062369922 cites W2044510640 @default.
- W2062369922 cites W2049092709 @default.
- W2062369922 cites W2050183603 @default.
- W2062369922 cites W2050837214 @default.
- W2062369922 cites W2052145631 @default.
- W2062369922 cites W2052604806 @default.
- W2062369922 cites W2054328152 @default.
- W2062369922 cites W2055622195 @default.
- W2062369922 cites W2057627954 @default.
- W2062369922 cites W2057640882 @default.
- W2062369922 cites W2059463192 @default.
- W2062369922 cites W2061476715 @default.
- W2062369922 cites W2063598210 @default.
- W2062369922 cites W2063942807 @default.
- W2062369922 cites W2063956471 @default.
- W2062369922 cites W2064054344 @default.
- W2062369922 cites W2064764507 @default.
- W2062369922 cites W2065405989 @default.
- W2062369922 cites W2066387129 @default.
- W2062369922 cites W2066390463 @default.
- W2062369922 cites W2067373045 @default.
- W2062369922 cites W2068591630 @default.
- W2062369922 cites W2068802714 @default.
- W2062369922 cites W2070481836 @default.
- W2062369922 cites W2072056335 @default.
- W2062369922 cites W2072763922 @default.
- W2062369922 cites W2073647353 @default.
- W2062369922 cites W2075136158 @default.
- W2062369922 cites W2076258965 @default.
- W2062369922 cites W2078371963 @default.
- W2062369922 cites W2084329215 @default.
- W2062369922 cites W2085168847 @default.
- W2062369922 cites W2086591572 @default.
- W2062369922 cites W2087944544 @default.
- W2062369922 cites W2088278842 @default.
- W2062369922 cites W2090446693 @default.
- W2062369922 cites W2093030588 @default.
- W2062369922 cites W2093771392 @default.
- W2062369922 cites W2108659228 @default.
- W2062369922 cites W2112844600 @default.
- W2062369922 cites W2119670735 @default.
- W2062369922 cites W2132768429 @default.
- W2062369922 cites W2149952260 @default.
- W2062369922 cites W2166076592 @default.
- W2062369922 cites W2312758621 @default.
- W2062369922 cites W2322213413 @default.
- W2062369922 cites W2395321365 @default.