Spotting the unexpected. Anomeric effects involving alkenes?
نویسندگان
چکیده
منابع مشابه
When anomeric effects collide
Rotational coordinates about the C(3)–O(4) bonds of 2,4-dioxaheptane (DOH) and 2,4,6-trioxaheptane (TOH) are compared at correlated levels of electronic structure theory for gauche and trans orientations of the O(2)–C(3) bonds. TOH has overlapping anomeric effects, while DOH does not. The overlapping stereoelectronic effect shows its largest impact on the length of the O(2)–C(3) bond, which is ...
متن کاملSubstituent Effects in the Oxythallation of Alkenes*
where R = H and/or alkyl (aryl). Presence of electron-releasing substituents on alkene double bond increases the rate of oxythallation it is in accordance with Ads character of this reaction [2-5]. In earlier papers of this series we showed that oxidation of alkenes by an aqueous solution of thallic salts suits Taft's equation, and isokinetic relationship, too [6-8]. We studied the enthalpy ent...
متن کاملStructural evidence of anomeric effects in the anesthetic isoflurane.
The conformational and structural properties of the inhalational anesthetic isoflurane (1-chloro-2,2,2-trifluoroethyl difluoromethyl ether) have been probed in a supersonic jet expansion using Fourier-transform microwave (FT-MW) spectroscopy. Two conformers of the isolated molecule were identified from the rotational spectrum of the parent and several (37)Cl and (13)C isotopologues detected in ...
متن کاملAb initio modelling of the anomeric and exo anomeric effects in 2-methoxytetrahydropyran and 2-methoxythiane corrected for intramolecular BSSE.
Accurate ab initio calculations including basis set limit (BSL) extrapolations, removal of intramolecular basis set superposition error (BSSE), solvent effect corrections, and thermal effects have been carried out to compare the structure and the anomeric and exo-anomeric effect in 2-methoxytetrahydropyran and 2-methoxythiane. The effect of intramolecular BSSE on the energetics was outlined for...
متن کاملUnexpected dual orbital effects in radical addition reactions involving acyl, silyl and related radicals.
Molecular orbital calculations reveal that acyl and silyl radicals add to numerous types of pi-systems through simultaneous SOMO-LUMO and LUMO-HOMO interactions of the radical with the radicalophile respectively.
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ژورنال
عنوان ژورنال: The Winnower
سال: 2015
ISSN: 2373-146X
DOI: 10.15200/winn.143118.81406