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Carbon‐13 nuclear magnetic resonance spectroscopy of polychlorinated diphenyl ethers
Author(s) -
Edlund Ulf,
Norström Åke
Publication year - 1977
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.1270090405
Subject(s) - chemistry , steric effects , substituent , carbon atom , moiety , nuclear magnetic resonance spectroscopy , ether , carbon fibers , chlorine , oxygen , chlorine atom , spectroscopy , carbon 13 , aryl , oxygen atom , photochemistry , organic chemistry , medicinal chemistry , molecule , materials science , physics , alkyl , quantum mechanics , composite number , composite material
Abstract Carbon‐13 n.m.r. chemical shifts are reported for diphenyl ether and several of its chlorinated analogs. Carbon shieldings were found to be dependent on the degree of steric interference to conjugative release by the oxygen atom. Substituent effects due to attached chlorine atoms seem to be more easily transmitted into the adjacent aryl moiety if the number of ortho chlorines is reduced. These results were clearly seen by a variable‐by‐variable plot display or by using a pattern recognition computer program. Spin‐lattice relaxation times have been measured for several compounds mainly for assignment purposes, but they are also briefly discussed in view of possible interconversion mechanisms.