The precise definition of the hydrogen bonding patterns of natural product organic molecules and biopolymers in solution has hitherto been very difficult. It is demonstrated here that proton-carbon n.O.e. difference spectroscopy and carbon relaxation rates readily yield carbon assignments, the donor and acceptor groups of hydrogen bonds, and the cis- and trans- stereochemistry around C-O and C-N single bonds. N.O.e. ratio methods and cross-relaxation rates gave proton-carbon distances that are in good agreement with the corresponding crystallographically derived distances.
Niccolai, N., Rossi, C., Mascagni, P., Gibbons, W.A., Brizzi, V. (1985). The Derivation of Carbon-proton Internuclear Distances In Organic Natural-products From C-13 Relaxation Rates and Nuclear Overhauser Effects. JOURNAL OF THE CHEMICAL SOCIETY. PERKIN TRANSACTIONS. I, 239-243 [10.1039/p19850000239].
The Derivation of Carbon-proton Internuclear Distances In Organic Natural-products From C-13 Relaxation Rates and Nuclear Overhauser Effects
Niccolai, Neri;Rossi, Claudio;
1985-01-01
Abstract
The precise definition of the hydrogen bonding patterns of natural product organic molecules and biopolymers in solution has hitherto been very difficult. It is demonstrated here that proton-carbon n.O.e. difference spectroscopy and carbon relaxation rates readily yield carbon assignments, the donor and acceptor groups of hydrogen bonds, and the cis- and trans- stereochemistry around C-O and C-N single bonds. N.O.e. ratio methods and cross-relaxation rates gave proton-carbon distances that are in good agreement with the corresponding crystallographically derived distances.
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https://hdl.handle.net/11365/34066
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