Complete assignment of 19F, 1H and 13C NMR spectra of monomers and precursors towards bridge trifluoromethylated poly(p‐phenylenevinylene)

Roche, Alex J.

doi:10.1002/mrc.1425

Cited by 2 publications

(2 citation statements)

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“…It is also found that the average difference of coupling constants obtained by these two methods is 0.512. For a series of methyl aldopyranosides (12)(13)(14)(15)(16)(17)(18)(19)(20) as given in Scheme 5, Table 5 shows good agreement between experimental 3 J CH values and those predicted through Equation (3) using the torsional angles obtained by X-ray spectroscopy. [112]…”

Section: Effect Of Substituents On J-couplingmentioning

confidence: 62%

“…[5] The employment of long-range proton-fluorine and carbon-proton couplings helped in the complete assignment of 1 H, 13 C and 19 F NMR spectra of trifluoromethylated poly(pphenylenevinylene) and cyclopentane derivatives. [17,18] The use of long-range proton-fluorine couplings in describing the glycosidic torsion angle dependence of fluorinated RNA molecules has been demonstrated. [19] It also provides the signature of the hydrogen bond in either small or medium-sized molecules such as benzamide [20] and its related compounds or the side-chain residue of protein molecules, thereby giving access to dynamic information about the protein side chains.…”

Section: Introductionmentioning

confidence: 99%

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Measurement and Applications of Long‐Range Heteronuclear Scalar Couplings: Recent Experimental and Theoretical Developments

2012

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The use of long-range heteronuclear couplings, in association with (1)H-(1)H scalar couplings and NOE restraints, has acquired growing importance for the determination of the relative stereochemistry, and structural and conformational information of organic and biological molecules. However, the routine use of such couplings is hindered by the inherent difficulties in their measurement. Prior to the advancement in experimental techniques, both long-range homo- and heteronuclear scalar couplings were not easily accessible, especially for very large molecules. The development of a large number of multidimensional NMR experimental methodologies has alleviated the complications associated with the measurement of couplings of smaller strengths. Subsequent application of these methods and the utilization of determined J-couplings for structure calculations have revolutionized this area of research. Problems in organic, inorganic and biophysical chemistry have also been solved by utilizing the short- and long-range heteronuclear couplings. In this minireview, we discuss the advantages and limitations of a number of experimental techniques reported in recent times for the measurement of long-range heteronuclear couplings and a few selected applications of such couplings. This includes the study of medium- to larger-sized molecules in a variety of applications, especially in the study of hydrogen bonding in biological systems. The utilization of these couplings in conjunction with theoretical calculations to arrive at conclusions on the hyperconjugation, configurational analysis and the effect of the electronegativity of the substituents is also discussed.

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