Journal article
Distinguishing between COOH, COO-, and hydrogen disordered COOH sites in solids with 13C chemical shift anisotropy and T1 measurements
MAGNETIC RESONANCE IN CHEMISTRY, v 62(3), p190
Mar 2024
PMID: 38237932
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
Since 1993, it has been known that C-13 chemical shift tensor (i.e., delta(11), delta(22), and delta(33)) provides information sufficient to distinguish between COOH and COO- sites. Herein, four previously unreported metrics are proposed for differentiating COOH/COO- moieties. A new relationship is also introduced that correlates the asymmetry (i.e., delta(11)-delta(22)) of COOH sites to the proximity of hydrogen bond donating partners within 2.6 & Aring; with high accuracy (+/- 0.05 & Aring;). Conversely, a limitation to all proposed metrics is that they fail to distinguish between COO- and hydrogen disordered COOH sites. To reconcile this omission, a new approach is proposed based on T-1 measurements of both H-1 and C-13. The C-13 T-1 values are particularly sensitive with the T-1 for hydrogen disordered COOH moieties found to be nearly six times smaller than T-1's from COO- sites.
Metrics
Details
- Title
- Distinguishing between COOH, COO-, and hydrogen disordered COOH sites in solids with 13C chemical shift anisotropy and T1 measurements
- Publication Details
- MAGNETIC RESONANCE IN CHEMISTRY, v 62(3), p190
- Publisher
- WILEY; HOBOKEN
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Drexel University
- Web of Science ID
- WOS:001144963500001
- Scopus ID
- 2-s2.0-85182432085
- Other Identifier
- 991021861287904721
UN Sustainable Development Goals (SDGs)
This publication has contributed to the advancement of the following goals:
InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Chemistry, Multidisciplinary
- Chemistry, Physical
- Spectroscopy