Multiple Substituent Effects on13C Chemical Shifts ofN-Benzylideneanilines. Evidence for Substituent–Substituent Interactions and Their Implications of Conformational Changes with Substituents
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چکیده
منابع مشابه
Substituent effects on 61Ni NMR chemical shifts.
(61)Ni chemical shifts of Ni(all-trans-cdt)L (cdt = cyclododecatriene, L = none, CO, PMe(3)), Ni(CO)(4), Ni(C(2)H(4))(2)(PMe(3)), Ni(cod)(2) (cod = cyclooctadiene) and Ni(PX(3))(4) (X = Me, F, Cl) are computed at the GIAO (gauge-including atomic orbitals), BPW91, B3LYP and BHandHLYP levels, using BP86-optimised geometries and an indirect referencing scheme. For this set of compounds, substituen...
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Over 60 lignin-related model compounds were phosphitylated with 2chloro-4,4,5,5-tetramethyldioxaphospholane, a sterically hindered analogue of 2-chloro-1,3,2-dioxaphospholane used in earlier work, and their 31P chemical shifts were recorded. Excellent resolution between the chemical shifts of phosphitylated carboxylic acids, phenols and aliphatic alcohols was obtained. The correlations of the p...
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15 صفحه اولTheoretical study of the effects of substituent and quadrupole moment on π-π stacking interactions with coronene
Stability of the π-π stacking interactions in the Ben||substituted-coronene and HFBen||substituted-coronene complexes was studied using the computational quantum chemistry methods (where Ben and HFBen are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four X groups, and X= NH2, CH3, OH, H, F, CF3, CN and NO). ...
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ژورنال
عنوان ژورنال: Bulletin of the Chemical Society of Japan
سال: 1985
ISSN: 0009-2673,1348-0634
DOI: 10.1246/bcsj.58.1186