Non‐empirical calculations of NMR indirect carbon–carbon coupling constants. Part 11—saturated carbocycles: a reference data set and a practical guide to structural elucidation | Zendy

Krivdin Leonid B. | Zendy

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Non‐empirical calculations of NMR indirect carbon–carbon coupling constants. Part 11—saturated carbocycles: a reference data set and a practical guide to structural elucidation

Author(s) -

Krivdin Leonid B.

Publication year - 2005

Publication title -

magnetic resonance in chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.483

H-Index - 72

eISSN - 1097-458X

pISSN - 0749-1581

DOI - 10.1002/mrc.1515

Subject(s) - chemistry , coupling constant , set (abstract data type) , computational chemistry , carbon fibers , series (stratigraphy) , coupling (piping) , spin (aerodynamics) , thermodynamics , algorithm , physics , quantum mechanics , mathematics , computer science , composite number , engineering , biology , programming language , mechanical engineering , paleontology

Carbon–carbon spin–spin coupling constants, J (C,C), calculated at the SOPPA level for 50 mono‐, bi‐ and polycycloalkanes in 10 previous papers are put in order and discussed on unified grounds. Basic structural trends of J (C,C) established in the original publications are summarized and briefly outlined for the representative series. Many unknown couplings are predicted with high reliability, and this provides a good reference data set and a practical guide to the structural elucidation of saturated carbocycles by means of J (C,C) coupling constants. Copyright © 2004 John Wiley & Sons, Ltd.

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