Novel observation of NH--S(Cys) hydrogen-bond-mediated scalar coupling in cadmium-113 substituted rubredoxin from Pyrococcus furiosus

1992 ◽  
Vol 114 (12) ◽  
pp. 4931-4933 ◽  
Author(s):  
Paul R. Blake ◽  
Jae B. Park ◽  
Michael W. W. Adams ◽  
Michael F. Summers
Keyword(s):  
Hydrogen Bond ◽  
Pyrococcus Furiosus ◽  
Scalar Coupling

Observation ofOH…N scalar coupling across a hydrogen bond in nocathiacin I

2007 ◽  
Vol 45 (6) ◽  
pp. 447-450 ◽  
Author(s):  
Xiaohua Stella Huang ◽  
Xiaohong Liu ◽  
Keith L. Constantine ◽  
John E. Leet ◽  
Vikram Roongta
Keyword(s):  
Hydrogen Bond ◽  
Scalar Coupling

scholarly journals Residence Times of Molecular Complexes in Solution from NMR Data of Intermolecular Hydrogen-Bond Scalar Coupling

2016 ◽  
Vol 7 (5) ◽  
pp. 820-824 ◽  
Author(s):  
Levani Zandarashvili ◽  
Alexandre Esadze ◽  
Catherine A. Kemme ◽  
Abhijnan Chattopadhyay ◽  
Dan Nguyen ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Intermolecular Hydrogen Bond ◽  
Molecular Complexes ◽  
Scalar Coupling ◽  
Residence Times ◽  
Nmr Data

Scalar Coupling Across the Hydrogen Bond in 1,3- and 1,4-Diols

2000 ◽  
Vol 2 (14) ◽  
pp. 2077-2080 ◽  
Author(s):  
Matthew Fierman ◽  
Alshakim Nelson ◽  
Saeed I. Khan ◽  
Michael Barfield ◽  
Daniel J. O'Leary
Keyword(s):  
Hydrogen Bond ◽  
Scalar Coupling

Indirect Nuclear 15N–15N Scalar Coupling through a Hydrogen Bond: Dependence on Structural Parameters Studied by Quantum Chemistry Tools

2013 ◽  
Vol 117 (38) ◽  
pp. 9235-9244 ◽  
Author(s):  
Anežka Křístková ◽  
James R. Asher ◽  
Vladimir G. Malkin ◽  
Olga L. Malkina
Keyword(s):  
Hydrogen Bond ◽  
Quantum Chemistry ◽  
Structural Parameters ◽  
Scalar Coupling

scholarly journals Modeling of the Response of Hydrogen Bond Properties on an External Electric Field: Geometry, NMR Chemical Shift, Spin-Spin Scalar Coupling

Molecules ◽  
2021 ◽  
Vol 26 (16) ◽  
pp. 4967
Author(s):  
Ilya G. Shenderovich ◽  
Gleb S. Denisov
Keyword(s):  
Hydrogen Bond ◽  
Electric Field ◽  
External Electric Field ◽  
Scalar Coupling ◽  
Wide Field ◽  
Field Range ◽  
Molecular Systems ◽  
Spectral Changes ◽  
Field Geometry ◽  
Δ 15N

The response of the geometric and NMR properties of molecular systems to an external electric field has been studied theoretically in a wide field range. It has been shown that this adduct under field approach can be used to model the geometric and spectral changes experienced by molecular systems in polar media if the system in question has one and only one bond, the polarizability of which significantly exceeds the polarizability of other bonds. If this requirement is met, then it becomes possible to model even extreme cases, for example, proton dissociation in hydrogen halides. This requirement is fulfilled for many complexes with one hydrogen bond. For such complexes, this approach can be used to facilitate a detailed analysis of spectral changes associated with geometric changes in the hydrogen bond. For example, in hydrogen-bonded complexes of isocyanide C≡15N-1H⋯X, 1J(15N1H) depends exclusively on the N-H distance, while δ(15N) is also slightly influenced by the nature of X.

Scalar coupling constants across the intramolecular NHN hydrogen bond of symmetrically and non-symmetrically substituted 6-aminofulvene-1-aldimines

2001 ◽  
Vol 39 (S1) ◽  
pp. S100-S108 ◽  
Author(s):  
Mariusz Pietrzak ◽  
Hans-Heinrich Limbach ◽  
Marta P�rez-Torralba ◽  
Dion�sia Sanz ◽  
Rosa Mar�a Claramunt ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Coupling Constants ◽  
Scalar Coupling
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