Change search
ReferencesLink to record
Permanent link

Direct link
Chemical Shielding Anisotropies for Chloroform Exchanging between a Free Site and a Complex with Cryptophane-D: A Cross-Correlated NMR Relaxation Study
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Number of Authors: 4
2015 (English)In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 119, no 35, 11760-11767 p.Article in journal (Refereed) Published
Abstract [en]

The case of C-13-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 C-13 and H-1 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, Delta sigma(C) = -58 +/- 8 ppm, in good agreement with most recent liquid-crystal measurements and the corresponding proton shielding anisotropy, Delta sigma(H) = 14 +/- 2 ppm.

Place, publisher, year, edition, pages
2015. Vol. 119, no 35, 11760-11767 p.
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-121660DOI: 10.1021/acs.jpcb.5b05218ISI: 000360947400032OAI: oai:DiVA.org:su-121660DiVA: diva2:901883
Available from: 2016-02-09 Created: 2015-10-13 Last updated: 2016-02-09Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Kowalewski, Jozef
By organisation
Department of Materials and Environmental Chemistry (MMK)
In the same journal
Journal of Physical Chemistry B
Chemical Sciences

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 15 hits
ReferencesLink to record
Permanent link

Direct link