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1 H and 13 C NMR study of some polychlorobuta‐1,3‐diene derivatives
Author(s) -
Botta D.,
Mantica E.,
Castellani L.,
Dotelli G.,
Zetta L.
Publication year - 1998
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/(sici)1097-458x(1998120)36:12<885::aid-omr366>3.0.co;2-z
Subject(s) - chemistry , diene , carbon 13 nmr , chemical shift , proton nmr , carbon 13 nmr satellite , nuclear magnetic resonance spectroscopy , computational chemistry , organic chemistry , fluorine 19 nmr , natural rubber
Because of the upsurge of interest inpolychlorobuta‐1,3‐diene derivatives as uncommoncontaminants in underground water, seven congeners, the threepentachloro‐ and four tetrachloro‐[( Z )‐ and( E )‐1,1,3,4‐tetrachloro‐,1,1,4,4‐tetrachloro‐ and( Z , Z )‐1,2,3,4‐tetrachloro]buta‐1,3‐dienes,were synthesized and their 1 H and 13 C NMRchemical shifts, n J ( 1 H, 1 H) and n J ( 13 C, 1 H) couplingconstants were measured. The 13 C NMR spectra were recordedin perdeuteroacetone with and without proton decoupling. In addition,to assign the 13 C NMR spectrum of1,1,2,4,4‐pentachlorobuta‐1,3‐diene, a2D‐INADEQUATE 13 C experiment was performed. Thepresent results were compared with literature data on organochlorinecompounds and possible conformations are discussed. © 1998 JohnWiley & Sons, Ltd.
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