Vicinal 1H, 13C coupling constants were measured for rigid unsaturated 1HÈCÈCx13C molecular frameworks at natural abundance. As a general trend, an empirical range of 4.5-6.5 Hz is observed independent of the value of the dihedral angle between the CH bond and the plane of the double bond. Furthermo
Determination of the Karplus relationships for the C-2, H-1′ and C-6, H-1′ vicinal coupling paths of uridine derivatives
✍ Scribed by David B. Davies; Pramila Rajani; Malcolm MacCoss; Steven S. Danyluk
- Publisher
- John Wiley and Sons
- Year
- 1985
- Tongue
- English
- Weight
- 581 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0749-1581
No coin nor oath required. For personal study only.
✦ Synopsis
A number of uracil cyclo-nucleosides with known glycosidic bond conformations have been synthesized as model compounds for evaluating the Karplus parameters of vicinal carbon-proton coupling across the glycosidic bond. The magnitudes of "J( C-2, H-1') and'J(C-6, H-1') were determined from proton-coupled C NMR measurements, and both coupling constants showed an approximate Karplus dependence with dihedral angle. Carem analysis of the results on model compounds reveals that the C-2, H-1' and C-6, H-1' coupling paths are not equivalent, and so the magnitudes of Karplus parameters have been determined for each coupling path for the Karplus relationship in the form "J= A cosz 0 + B cos 0 + C, i.e. & = 6.2, B6 = -2.4 and C, = 0.1 Hz and Az = 5.0, & = -2.1 and C, = 0.1 Hz. Comparison is made between proton-carbon coupling magnitudes in nucleoside and peptide coupling paths.
📜 SIMILAR VOLUMES
The complete analysis of the 'H NMR spectra of [ (C,Me,)lr(glycinate)CI] and [ (C,Me,)Ir(N-methyl-g1ycinate)Clj provide information for the conformational analysis of the five-membered N-C-C-0-Ir ring. A Karplus relationship has been established for these metallacycles [ 3J(H,H) = 8.9 cos' 4 -1.0 c
## Abstract The empirical Karplus‐type dependence of ^3^__J__(^119^Sn,^13^C) and ^3^__J__(^119^Sn,^1^H) couplings in organotin(IV) derivatives has been computationally validated by DFT methods both at the non‐relativistic and scalar ZORA relativistic level. A preliminary calibration of the computat
Speeds of sound, densities, refractive indices, and isentropic compressibilities, at the temperature \(298.15 \mathrm{~K}\) of \(\left\{x_{1} \mathrm{C}_{6} \mathrm{H}_{6}+x_{2} \mathrm{c}-\mathrm{C}_{6} \mathrm{H}_{12}+\left(1-x_{1}-x_{2}\right) \mathrm{C}_{6} \mathrm{H}_{5} \mathrm{Cl}\right\}\) a
It must be emphasized that the rnultiplets discussed here are based on chemical shifts. They should not be mistaken as multiplets that result from scalar spin-spin coupling.