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Determination of the Orientation of a Distant Bond Vector in a Molecular Reference Frame by Cross‐Correlated Relaxation of Nuclear Spins
Author(s) -
Reif Bernd,
Steinhagen Henning,
Junker Bernd,
Reggelin Michael,
Griesinger Christian
Publication year - 1998
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/(sici)1521-3773(19980803)37:13/14<1903::aid-anie1903>3.0.co;2-y
Subject(s) - spins , relaxation (psychology) , orientation (vector space) , reference frame , projection (relational algebra) , nuclear magnetic resonance spectroscopy , spectroscopy , chemistry , crystallography , molecular physics , molecular geometry , physics , molecule , nuclear magnetic resonance , materials science , analytical chemistry (journal) , frame (networking) , condensed matter physics , geometry , mathematics , biology , quantum mechanics , algorithm , telecommunications , neuroscience , computer science , chromatography
Despite a separation of 7 Å the angles between C–H and H–H vectors (e.g., C 3 –H 3 /H 25 –H 26 ) in 1 can be determined by NMR spectroscopy by the measurement of cross‐correlated double‐ and zero‐quantum relaxation rates in solution. As shown by comparison with a crystal structure of 1 , the intervector projection angles can be measured with an error of at most ±3°.