Related Experiment Video
Updated: May 13, 2026

High-Temperature and High-Pressure In situ Magic Angle Spinning Nuclear Magnetic Resonance Spectroscopy
Published on: October 9, 2020
Theoretical and experimental insights into applicability of solid-state 93Nb NMR in catalysis
Evgeniy Papulovskiy1, Alexandre A Shubin, Victor V Terskikh
1Boreskov Institute of Catalysis, 630090 Novosibirsk, Russia.
Abstract:
Ab initio DFT calculations of (93)Nb NMR parameters using the NMR-CASTEP code were performed for a series of over fifty individual niobates, and a good agreement has been found with experimental NMR parameters. New experimental and calculated (93)Nb NMR data were obtained for several compounds, AlNbO4, VNb9O25, K8Nb6O19 and Cs3NbO8, which are of particular interest for catalysis. Several interesting trends have been identified between (93)Nb NMR parameters and the specifics of niobium site environments in niobates. These trends may serve as useful guidelines in interpreting (93)Nb NMR spectra of complex niobium oxide systems, including amorphous samples and niobium-based multicomponent heterogeneous catalysts. Potential applications of (93)Nb NMR to study solid polyoxoniobates are discussed.
Related Concept Videos
Applications Of NMR In Biology
The...
Catalysis
Heterogeneous Catalysis
Introduction to Mechanisms of Enzyme Catalysis
Introduction to Mechanisms of Enzyme Catalysis
Other Nuclides: 31P, 19F, 15N NMR
While fluorine-19 and phosphorous-31 have high natural abundances (100%) and positive gyromagnetic ratios, nitrogen-15 has a low natural abundance and a negative gyromagnetic ratio. However, nitrogen-15 is still preferred over nitrogen-14 (which has a high...
