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1. |
Editorial |
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Organic Magnetic Resonance,
Volume 7,
Issue 1,
1975,
Page 1-1
P. M. E. Lewis,
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ISSN:0030-4921
DOI:10.1002/mrc.1270070102
出版商:John Wiley&Sons Limited
年代:1975
数据来源: WILEY
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2. |
Theoretical and empirical calculations of the carbon chemical shift in terms of the electronic distribution in molecules |
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Organic Magnetic Resonance,
Volume 7,
Issue 1,
1975,
Page 2-17
G. J. Martin,
M. L. Martin,
S. Odiot,
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PDF (1557KB)
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摘要:
AbstractThe principles of the theoretical calculations of the carbon atom screening constant are reviewed. The Independent Electron, SCFMO and Valence Bond formulae are briefly discussed, and the relative importance of the different terms involved in an approximate decomposition of σ13C are pointed out. The variations of the excitation energy ΔE, the mean distance between the nucleus and 2p electrons, and the electronic charges and bond orders with the structure are presented. The nature of the steric effect is also explained. In a second part the various empirical correlations which make an evaluation of δ13C from structural and physical properties possible are shown. The actual substituent parameters of the main classes of compounds are listed and worked examples given to make the use of the tables easier. The correlations between δ13C and the electronic charge, electronegativity, Hammett‐Taft constants, electric field effects, geometrical parameters, spectroscopic data (electronic transitions, screening of other nuclei) and pH are also discussed with a view to appraising the carbon sc
ISSN:0030-4921
DOI:10.1002/mrc.1270070103
出版商:John Wiley&Sons Limited
年代:1975
数据来源: WILEY
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3. |
Forthcoming papers |
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Organic Magnetic Resonance,
Volume 7,
Issue 1,
1975,
Page 6-6
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PDF (105KB)
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ISSN:0030-4921
DOI:10.1002/mrc.1270070116
出版商:John Wiley&Sons Limited
年代:1975
数据来源: WILEY
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4. |
News and events |
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Organic Magnetic Resonance,
Volume 7,
Issue 1,
1975,
Page 7-7
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PDF (131KB)
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ISSN:0030-4921
DOI:10.1002/mrc.1270070117
出版商:John Wiley&Sons Limited
年代:1975
数据来源: WILEY
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5. |
Erratum |
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Organic Magnetic Resonance,
Volume 7,
Issue 1,
1975,
Page 8-8
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PDF (80KB)
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ISSN:0030-4921
DOI:10.1002/mrc.1270070119
出版商:John Wiley&Sons Limited
年代:1975
数据来源: WILEY
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6. |
13C RMN: Non‐équivalences d'ammoniums quaternaires diastéréoisoméres |
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Organic Magnetic Resonance,
Volume 7,
Issue 1,
1975,
Page 18-22
A. Solladié‐Cavallo,
G. Solladié,
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PDF (384KB)
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摘要:
AbstractLes spectres de13C de six couples d'ammoniums quaternaires ont été étudiés. L'attribution des signaux des carbones non‐aromatiques et la détermination des non‐équivalences ont conduit au dosage des diastéréoisomères ainsi qu'à la mise en évidence d'un effect β déblindant et γ blindant lors de la
ISSN:0030-4921
DOI:10.1002/mrc.1270070104
出版商:John Wiley&Sons Limited
年代:1975
数据来源: WILEY
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7. |
13C13C coupling constants and substituent effects on13C chemical shifts in13C labelled pyrene and pyrene derivatives |
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Organic Magnetic Resonance,
Volume 7,
Issue 1,
1975,
Page 23-25
P. E. Hansen,
O. K. Poulsen,
A. Berg,
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摘要:
AbstractLong range inter‐ring13C13C couplings are found to be effective in the title compounds, and the magnitudes of coupling constants and of substituent effects on13C chemical shifts, as well as the signs of the latter, alternate with respect to the number of connecting bo
ISSN:0030-4921
DOI:10.1002/mrc.1270070105
出版商:John Wiley&Sons Limited
年代:1975
数据来源: WILEY
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8. |
composés cycliques à six chaǐnons |
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Organic Magnetic Resonance,
Volume 7,
Issue 1,
1975,
Page 26-30
Louis Cazaux,
Jacques Navech,
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摘要:
AbstractDiverses méthodes de calcul sont proposées pour calculer l'angle de torsion de la liaison CC dans les composés cycliques à six chaǐnons. Elles fournissent un ordre de grandeur correct de cet angle par comparaison avec les mesures aux rayons X. La limite de cette détermination est
ISSN:0030-4921
DOI:10.1002/mrc.1270070106
出版商:John Wiley&Sons Limited
年代:1975
数据来源: WILEY
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9. |
Spectres RMN et analyse conformationnelle de germa‐4 dioxannes‐1,3 |
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Organic Magnetic Resonance,
Volume 7,
Issue 1,
1975,
Page 31-32
Louis Cazaux,
Jacques Barrau,
Michel Massol,
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摘要:
AbstractLes méthodes de calcul de l'angle de torsion de la liaison CC sont appliquées à quelques germa‐4 dioxannes‐1,3. On montre ainsi que le diéthyl‐4,4 trichlorométhyl‐2 germa‐4 dioxanne‐1,3 adopte dans CCl4et C6D6une conformation chaise à groupe CCl3équatorial déformée par la présence du germanium: l'angle de torsion du fragment GeCH2CH2O est de 45°. Les dérivés alkylés en 6 les plus stables (isomèrescis) existent dans la měme conformation, l'isomére tertiobutylétransle moins stable préférant une forme croisée compati
ISSN:0030-4921
DOI:10.1002/mrc.1270070107
出版商:John Wiley&Sons Limited
年代:1975
数据来源: WILEY
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10. |
The anion radical of azobispyridinN‐oxide |
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Organic Magnetic Resonance,
Volume 7,
Issue 1,
1975,
Page 33-34
Dolan H. Eargle,
Maria Isabel Ventura‐Batista,
José Dias da Silva,
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摘要:
AbstractThe anion radical of the fully aromatic di‐N‐oxide system of azobispyridineN‐oxide was prepared and studied by ESR. Utilising computer simulation and CNDO computation the ESR spectrum was interpreted as follows:\documentclass{article}\pagestyle{empty}\begin{document}$$ \begin{array}{*{20}c} {{\rm a}_{\rm N}^{{\rm N} = {\rm N}} = 6 \cdot 93{\rm G};\quad{\rm a}_{\rm N}^{{\rm N} - 0} = 3 \cdot 95{\rm G};\quad{\rm a}_{{\rm H} - 3,5}^{{\rm CH}} = 1 \cdot 92{\rm G};} \\ {{\rm a}_{{\rm H} - 2,6}^{{\rm CH}} = 0 \cdot 61{\rm G}.} \\ \end{array} $$\end{document}Using appropriate equations the spin densities were calculated at\documentclass{article}\pagestyle{empty}\begin{document}$$ \begin{array}{*{20}c} \begin{array}{l}\\ \rho _{\rm N}^{{\rm N} = {\rm N}} = 0 \cdot 214;{\rm }\quad\rho _{\rm N}^{{\rm N} - {\rm 0}} = 0 \cdot 148;{\rm }\quad\rho _{{\rm C} - 3,5} = 0 \cdot 00800; \\ \end{array} \\ {\rho _{{\rm C} - 2,6} = 0 \cdot 0254.} \\ \end{array} $$\end{document}Ths semi‐quinoidal nature of the radical suggests a possible use as a spi
ISSN:0030-4921
DOI:10.1002/mrc.1270070108
出版商:John Wiley&Sons Limited
年代:1975
数据来源: WILEY
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