TY - BOOK ED - Duvinage, Brigitte T1 - Einfache Experimente Y1 - 1999 ER - TY - BOOK ED - Barthel, Helmut ED - Henning, Helmut ED - Kleinpeter, Erich ED - Ludwig, Eberhard ED - Uhlemann, Erhard ED - Barthel, Helmut T1 - Chemie : Lehrbuch für die Sekundarstufe II ; Gymnasium/Gesamtschule ; Allgemeine Chemie, organische Chemie Y1 - 1995 PB - Volk und Wissen CY - Berlin ER - TY - BOOK ED - Barthel, Helmut ED - Henning, Helmut ED - Kleinpeter, Erich ED - Ludwig, Eberhard ED - Uhlemann, Erhard ED - Barthel, Helmut T1 - Chemie : Lehrbuch für die Sekundarstufe II ; Gymnasium/Gesamtschule ; Allgemeine Chemie, organische Chemie ; Lösungen Y1 - 1995 PB - Volk und Wissen CY - Berlin ER - TY - JOUR T1 - DFT-GIAO-NBO and 13C NMR study of the delta-syn-axial effect in 2,4-disubstituted adamantanes N2 - Six groups of diastereomeric 2,4-disubstituted adamantanes were studied with DFT-GIAO-NBO (natural orbital analysis) methods. The calculated 13C chemical shifts reproduce well the experimental data. It was found that among all diastereomers, those bearing substituents in -syn-axial positions showed the largest overall deshielding, i.e. the sum of all 13C chemical shifts [;;(13C)] was the greatest and also had the highest delocalization contribution to the molecular energy evaluated with NBO. The higher delocalization energy is proposed to be the origin of the deshielding -syn-axial effect Y1 - 2008 UR - http://onlinelibrary.wiley.com/doi/10.1002/mrc.2333/pdf U6 - https://doi.org/10.1002/Mrc.2333 SN - 0749-1581 ER - TY - JOUR T1 - Synthesis and conformational analysis of phenyl-substituted 1,3,2-oxazaphosphino[4,3-a]- and 1,2,3- oxathiazino[4,3-a]isoquinolines N2 - Through the ring closures of tetrahydroisoquinoline 1,3-amino alcohols bearing a phenyl group in the side- chain, diastereomers of novel 1- or 2-phenyl-substituted 1,3,2-oxazaphosphino[4,3-a]isoquinoline 4-oxides, and 1,2,3- oxathiazino[4,3-a]isoquinoline 4-oxides and 4,4-dioxides were prepared. NMR analysis and DFT calculations on the prepared tetrahydroisoquinoline-condensed 1,2,3-heterocycles revealed that their conformational equilibria of cis1-trans-cis2 type are influenced by the relative configuration of P-4 in the 1,3,2-oxazaphosphinanes, and by the position of the phenyl group in the 1,2,3-oxathiazines. Y1 - 2008 ER -