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Unusually Large Isotope Effects on NMR Chemical Shifts of Paramagnetic Organometallic Compounds
Author(s) -
Heintz Robert A.,
Theopold Klaus H.,
Neiss Thomas G.
Publication year - 1994
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199423261
Subject(s) - paramagnetism , chemistry , isotopomers , group 2 organometallic chemistry , hydride , chemical shift , cluster (spacecraft) , benzene , molecule , isotope , nuclear magnetic resonance spectroscopy , kinetic isotope effect , deuterium , inorganic chemistry , stereochemistry , organic chemistry , hydrogen , physics , quantum mechanics , computer science , programming language
H/D exchange in the paramagnetic cluster [{Cp″Cr(μ 3 ‐H)} 4 ] ( 1 ) with [D 6 ] benzene yielded a mixture of isotopomers including [{Cp″Cr(μ 3 ‐D)} 4 ] ([D 4 ]‐ 1 ). In the 13 C NMR spectrum of this mixture the chemical shifts displayed unusually large isotope effects (up to Δδ = 3 per H/D exchange!), caused by the paramagnetism of the molecules. The effect was used to study dynamic processes in the hydride cluster.