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The additivity of NMR carbon–carbon spin–spin coupling constants
Author(s) -
Marshall James L.,
Faehl Larry G.,
Kattner Richard
Publication year - 1979
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270120308
Subject(s) - fluorene , coupling constant , carbon fibers , coupling (piping) , additive function , spin (aerodynamics) , path (computing) , chemistry , algebraic number , carbon 13 , computational chemistry , physics , materials science , organic chemistry , mathematics , quantum mechanics , thermodynamics , mathematical analysis , polymer , composite number , computer science , metallurgy , composite material , programming language
Fluorene‐9‐ 13 C, fluorenone‐9‐ 13 C, acenaphthenone‐11‐ 13 C, acenaphthenone‐12‐ 13 C, 1‐methylcyclopentanol‐1‐ 13 C and 1‐methylcyclopentene‐1‐ 13 C were synthesized to obtain J (CC) values between the natural carbons and the labeled carbons. Each of these compounds possessed at least one asymmetric dual‐path coupling, i.e., coupling between the labeled carbon and another carbon via simultaneous two‐ and three‐bonded coupling paths. Model 13 C‐labeled compounds were synthesized where necessary to give expected values of the constituent mono‐path couplings. Values of these dual‐path couplings ( 2+3 ) J suggested that the observed value is the (at least approximate) algebraic sum of the two constituent J values.