Non‐empirical calculations of NMR indirect carbon–carbon coupling constants. Part 7—Spiroalkanes | Zendy

Krivdin Leonid B. | Zendy

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Non‐empirical calculations of NMR indirect carbon–carbon coupling constants. Part 7—Spiroalkanes

Author(s) -

Krivdin Leonid B.

Publication year - 2004

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.1367

Subject(s) - chemistry , undecane , heptane , nonane , octane , pentane , carbon fibers , coupling constant , computational chemistry , hexane , organic chemistry , materials science , physics , particle physics , composite number , composite material

Carbon–carbon spin–spin coupling constants were calculated at the SOPPA level for a series of seven classical spiroalkanes, spiro[2.2]pentane, spiro[2.3]hexane, spiro[2.4]heptane, spiro[2.5]octane, spiro[3.3]heptane, spiro[4.4]nonane and spiro[5.5]undecane, with special focus upon couplings involving and/or across spiro carbons. Many interesting structural trends were investigated originating in specific geometries and unusual bonding environments at the spiro carbon. Copyright © 2004 John Wiley & Sons, Ltd.

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