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- W2425350241 abstract "The case of (13)C-labeled chloroform exchanging between a free site in solution and the encaged site within the cryptophane-D cavity is investigated using the measurements of longitudinal cross-correlated relaxation rates, involving the interference of the dipole-dipole and chemical shielding anisotropy interactions. A compact theoretical expression is provided, along with an experimental protocol, based on INEPT (insensitive nuclei enhanced by polarization)-enhanced double-quantum-filtered inversion recovery measurements. The analysis of the build-up curves results in a set of cross-correlated relaxation rates for both the (13)C and (1)H spins at the two sites. It is demonstrated that the results can be given a consistent interpretation in terms of molecular-level properties, such as rotational correlation times, the Lipari-Szabo order parameter, and interaction strength constants. The analysis yields the bound-site carbon-13 chemical shielding anisotropy, ΔσC = -58 ± 8 ppm, in good agreement with most recent liquid-crystal measurements and the corresponding proton shielding anisotropy, ΔσH = 14 ± 2 ppm." @default.
- W2425350241 created "2016-06-24" @default.
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- W2425350241 date "2015-08-19" @default.
- W2425350241 modified "2023-10-18" @default.
- W2425350241 title "Chemical Shielding Anisotropies for Chloroform Exchanging between a Free Site and a Complex with Cryptophane-D: A Cross-Correlated NMR Relaxation Study" @default.
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- W2425350241 doi "https://doi.org/10.1021/acs.jpcb.5b05218" @default.
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