NMR Spin (nmr + spin)

Distribution by Scientific Domains

Selected Abstracts

A Theoretical Study of the NMR Spin,Spin Coupling Constants of the Complexes [(NC)5Pt,Tl(CN)n]n- (n = 0,3) and [(NC)5Pt,Tl,Pt(CN)5]3- : A Lesson on Environmental Effects.

CHEMINFORM, Issue 2 2004
Jochen Autschbach
No abstract is available for this article. [source]

A review with comprehensive data on experimental indirect scalar NMR spin,spin coupling constants across hydrogen bonds

Ibon Alkorta
Abstract Scalar NMR spin,spin coupling constants across hydrogen bonds are fundamental in structural studies and as test grounds for theoretical calculations. Since they are scattered among many articles of different kinds, it seems useful to collect them in the most comprehensive way. Copyright 2008 John Wiley & Sons, Ltd. [source]

A new approach to automated first-order multiplet analysis

Sergey Golotvin
Abstract The dependence of the values of NMR spin,spin coupling constants on molecular conformation can be a valuable tool in the structure determination process. The continuing increase in the resonance frequency of modern NMR spectrometers allows an increasing number of resonances to be examined using first-order multiplet analysis. While this can easily be done for the simplest patterns (doublets, triplets, quartets), more complex patterns can be extremely difficult to analyze. The task of deducing the coupling constant values from a multiplet is the reverse process of generating a conventional splitting tree from a single line (chemical shift) by sequential branching using a given set of coupling constants. We present a simple, straightforward method of deducing coupling constant values from first-order multiplets based on a general inverted splitting tree algorithm but also including a peak intensity normalization procedure that utilizes multiplet symmetry and generates a set of possible first-order intensity distribution patterns. When combined with an inverted splitting tree algorithm, it is possible to find an intensity pattern that allows the deduction of a proper set of coupling constants. Copyright 2002 John Wiley & Sons, Ltd. [source]