ChemInform Abstract: CONFORMATIONAL ANALYSIS UTILIZING CARBON-13-CARBON-13 SPIN-SPIN COUPLING CONSTANTS: DIAMANTANE (CONGRESSANE) DERIVATIVES

J. L. MARSHALL; E. D. JUN. CANADA

doi:10.1002/chin.198051178

ChemInform Abstract: CONFORMATIONAL ANALYSIS UTILIZING CARBON-13-CARBON-13 SPIN-SPIN COUPLING CONSTANTS: DIAMANTANE (CONGRESSANE) DERIVATIVES

Chemischer Informationsdienst ◽

10.1002/chin.198051178 ◽

1980 ◽

Vol 11 (51) ◽

Author(s):

J. L. MARSHALL ◽

E. D. JUN. CANADA

Keyword(s):

Conformational Analysis ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Conformational analysis and stereochemical dependences of 31 P-1 H spin-spin coupling constants of bis(2-phenethyl)vinylphosphine and related phosphine chalcogenides

Magnetic Resonance in Chemistry ◽

10.1002/mrc.2386 ◽

2009 ◽

Vol 47 (4) ◽

pp. 288-299 ◽

Cited By ~ 19

Author(s):

Sergey V. Fedorov ◽

Leonid B. Krivdin ◽

Yury Yu. Rusakov ◽

Igor A. Ushakov ◽

Natalia V. Istomina ◽

...

Keyword(s):

Conformational Analysis ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Phosphine Chalcogenides

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Conformational analysis and diastereotopic assignments in the series of selenium-containing heterocycles by means of 77Se-1H spin-spin coupling constants: a combined theoretical and experimental study

Magnetic Resonance in Chemistry ◽

10.1002/mrc.2760 ◽

2011 ◽

Vol 49 (7) ◽

pp. 389-398 ◽

Cited By ~ 31

Author(s):

Yury Yu. Rusakov ◽

Leonid B. Krivdin ◽

Vladimir A. Potapov ◽

Maxim V. Penzik ◽

Svetlana V. Amosova

Keyword(s):

Experimental Study ◽

Conformational Analysis ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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NMR spectra, MO calculations of spin-spin coupling constants and conformational analysis of substituted 1,3-dioxolanes

Organic Magnetic Resonance ◽

10.1002/mrc.1270130105 ◽

1980 ◽

Vol 13 (1) ◽

pp. 17-25 ◽

Cited By ~ 4

Author(s):

Rois Benassi ◽

Luisa Schenetti ◽

Ferdinando Taddei ◽

Luigi Villa ◽

Vincenzo Ferri

Keyword(s):

Conformational Analysis ◽

Nmr Spectra ◽

Coupling Constants ◽

Spin Coupling ◽

Mo Calculations ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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ChemInform Abstract: CONFORMATIONAL ANALYSIS OF 1,4-CYCLOHEXADIENES. CARBON-PROTON SPIN-SPIN COUPLING CONSTANTS IN DIHYDROAROMATIC CARBOXYLIC ACIDS

Chemischer Informationsdienst ◽

10.1002/chin.197715046 ◽

1977 ◽

Vol 8 (15) ◽

pp. no-no

Author(s):

J. L. MARSHALL ◽

L. G. FAEHL ◽

C. R. JUN. MCDANIEL ◽

N. D. LEDFORD

Keyword(s):

Conformational Analysis ◽

Carboxylic Acids ◽

Proton Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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13C-13C spin-spin coupling constants in structural studies: XL. Conformational analysis of N-vinylpyrroles

Russian Journal of Organic Chemistry ◽

10.1134/s1070428007060140 ◽

2007 ◽

Vol 43 (6) ◽

pp. 880-887 ◽

Cited By ~ 8

Author(s):

Yu. Yu. Rusakov ◽

L. B. Krivdin ◽

E. Yu. Shmidt ◽

A. M. Vasil’tsov ◽

A. I. Mikhaleva ◽

...

Keyword(s):

Conformational Analysis ◽

Coupling Constants ◽

Spin Coupling ◽

Structural Studies ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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ChemInform Abstract: A COMBINED STUDY OF VICINAL AND GEMINAL CARBON-PROTON SPIN-SPIN COUPLING CONSTANTS AS A TOOL IN CONFORMATIONAL ANALYSIS. THE CONFORMATION OF 2,6-DICHLORO-1,4-OXATHIANES

Chemischer Informationsdienst ◽

10.1002/chin.198017068 ◽

1980 ◽

Vol 11 (17) ◽

Author(s):

T. SPOORMAKER ◽

M. J. A. DE BIE

Keyword(s):

Conformational Analysis ◽

Proton Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Peptide conformations. 20. Conformational analysis of proline rings from proton spin-spin coupling constants and force-field calculations: application to three cyclic tripeptides

Journal of the American Chemical Society ◽

10.1021/ja00346a023 ◽

1983 ◽

Vol 105 (8) ◽

pp. 2237-2246 ◽

Cited By ~ 41

Author(s):

Frank A. A. M. De Leeuw ◽

Cornelis Altona ◽

Horst Kessler ◽

Wolfgang Bermel ◽

Axel Friedrich ◽

...

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Proton Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Force Field Calculations ◽

Peptide Conformations ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Conformational analysis of 1,4-cyclohexadienes. Carbon-proton spin-spin coupling constants in dihydroaromatic carboxylic acids

Journal of the American Chemical Society ◽

10.1021/ja00444a002 ◽

1977 ◽

Vol 99 (2) ◽

pp. 321-325 ◽

Cited By ~ 17

Author(s):

James L. Marshall ◽

Larry G. Faehl ◽

Cato R. McDaniel ◽

N. Dale Ledford

Keyword(s):

Conformational Analysis ◽

Carboxylic Acids ◽

Proton Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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A combined study of vicinal and geminal carbon-proton spin-spin coupling constants as a tool in conformational analysis. The conformation of 2,6-dichloro-1,4-oxathianes

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19800990105 ◽

2010 ◽

Vol 99 (1) ◽

pp. 15-19 ◽

Cited By ~ 3

Author(s):

Tom Spoormaker ◽

Marius J. A. de Bie

Keyword(s):

Conformational Analysis ◽

Proton Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Conformational Analysis of 2-Formylselenophene by Means of 13C - 1H, 13C - 13C, and 77Se - 1H Spin - Spin Coupling Constants

Australian Journal of Chemistry ◽

10.1071/ch09010 ◽

2009 ◽

Vol 62 (7) ◽

pp. 734 ◽

Cited By ~ 17

Author(s):

Yury Yu. Rusakov ◽

Leonid B. Krivdin ◽

Natalia V. Istomina ◽

Ekaterina P. Levanova ◽

Galina G. Levkovskaya

Keyword(s):

Conformational Analysis ◽

Internal Rotation ◽

Coupling Constants ◽

Spin Coupling ◽

Experimental Measurements ◽

Formyl Group ◽

Spin Coupling Constants ◽

Spin Spin Coupling

Theoretical energy-based conformational analysis of 2-formylselenophene performed at the MP2/6–311G** level together with experimental measurements and SOPPA/aug-cc-pVTZ-J calculations of its 13C–1H, 13C–13C, and 77Se–1H spin–spin coupling constants showed that this compound predominantly adopts the s-cis conformation. Most of the spin–spin coupling constants under study, especially vicinal 77Se–1H couplings, demonstrate remarkable stereochemical behaviour with respect to the internal rotation of the formyl group, which is of major importance in stereochemical studies of the related selenium-containing compounds.

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