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Theoretical additivity in multipath 13C, 1H coupling constants

✍ Scribed by R. H. Contreras; G. E. Scuseria


Publisher
John Wiley and Sons
Year
1984
Tongue
English
Weight
393 KB
Volume
22
Category
Article
ISSN
0749-1581

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## Abstract ^13^C, ^1^H spin coupling constants of dimethylacetylene have been determined by the complete analysis of the proton coupled ^13^C NMR spectrum. For the methyl carbon ^1^__J__(CH) = + 130.6~4~ Hz and ^4^__J__(CH) = + 1.5~8~ Hz, and for the acetylenic carbon ^2^__J__(CH) = − 10.34 Hz and

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## Abstract Measurements of one‐bond carbon–carbon coupling constants, ^1^__J__(C, C), were performed for two series of compounds, alkyl‐substituted cyclopropenes and cyclopropanes. The experimental data were complemented by a set of DFT‐calculated __J__ couplings for the parent cyclopropene (**1**