One‐Bond  15 N 13 C′ Nuclear Spin–Spin Coupling in  N ‐Methylacetamide: a Model for Hydrogen‐Bonded Peptides | Zendy

Ilich Predrag | Zendy; Juranić Nenad | Zendy

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One‐Bond 15 N 13 C′ Nuclear Spin–Spin Coupling in N ‐Methylacetamide: a Model for Hydrogen‐Bonded Peptides

Author(s) -

Ilich Predrag,

Juranić Nenad

Publication year - 2003

Publication title -

chemphyschem

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.016

H-Index - 140

eISSN - 1439-7641

pISSN - 1439-4235

DOI - 10.1002/cphc.200300647

Subject(s) - chemistry , hydrogen bond , spin (aerodynamics) , hydrogen , molecule , crystallography , coupling (piping) , atomic physics , physics , materials science , organic chemistry , metallurgy , thermodynamics

New insight into hydrogen bonds : The authors present a new approach to the analysis of the polypeptide and polynucleotide secondary structures that is based on the observation of the “through‐hydrogen‐bond” nuclear spin–spin coupling in a simple peptide‐model molecule, N ‐methylacetamide. The geometry of N ‐methylacetamide is gradually changed (see picture) to mimic the response to the major energy components of hydrogen‐bonded interactions, and the associated changes in the one‐bond 15 N 13 C′ nuclear spin–spin coupling are estimated by calculating the Fermi contact term.

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