93Nb NMR Chemical Shift Scale for Niobia Systems | Sciact - CRIS-system of Boreskov Institute of Catalysis

93Nb NMR Chemical Shift Scale for Niobia Systems Full article

Journal

Solid State Nuclear Magnetic Resonance
ISSN: 0926-2040 , E-ISSN: 1527-3326

Output data

Year: 2005, Volume: 28, Number: 2-4, Pages: 204-224 Pages count : 21 DOI: 10.1016/j.ssnmr.2005.09.003

Tags

93Nb NMR, Chemical shift scale, High field MAS, Niobates, Solid-state NMR, STMAS

Authors

Lapina Olga B. ¹ , Khabibulin Dzhalil F. ¹ , Romanenko Konstantin V. ¹ , Gan Zhehong ² , Zuev Mikhail G. ³ , Krasilnikov Vladimir N. ³ , Fedorov Vladimir E. ⁴

Affiliations

1	Boreskov Institute of Catalysis, SB RAS, Prosp. Lavrentieva 5, 630090 Novosibirsk, Russian Federation
2	NHMF Laboratory, Florida State University, CIMAR/NMR, Florida, USA
3	Institute of Solid State Chemistry, UB RAS, Ekaterinburg GSP-145, 620219 Russian Federation
4	Nikolaev Institute of Inorganic Chemistry, SB RAS, 630090 Novosibirsk, Russian Federation

Funding (3)

1	Russian Foundation for Basic Research	04-03-33070
2	Siberian Branch of the Russian Academy of Sciences	48
3	North Atlantic Treaty Organization	ESP.NR. NRCLG 981857

93Nb solid-state NMR spectra of a series of inorganic niobates with Nb in different oxygen coordination environments were measured. For all studied compounds the chemical shielding and quadrupole tensor parameters were determined using conventional and ultrahigh field NMR facilities, ultrahigh speed MAS, DQ STMAS, solid-echo and computer modeling. It has been demonstrated that the 93Nb isotropic chemical shift is sensitive to the coordination number of Nb sites. For the first time the 93Nb NMR chemical shift scale for NbOx polyhedra in solid materials has been proposed: for four-coordinated Nb sites, the isotropic shifts occur from −650 to −950 ppm; five-coordinated Nb sites have the isotropic shifts in the range of –900 to –980 ppm; for six-coordinated Nb sites the isotropic shifts vary from −900 to −1360 ppm; the shifts from −1200 to −1600 ppm are typical for seven-coordinated Nb sites; for eight-coordinated Nb sites the shifts are higher than −1400 ppm. The possible correlation between the value of the isotropic chemical shift and the ionic character of the NbOx–MOy polyhedra association has been suggested. The magnitude of the 93Nb quadrupole coupling constant depends on the local symmetry of Nb sites and may vary from hundreds of kHz to hundreds of MHz.

Lapina O.B. , Khabibulin D.F. , Romanenko K.V. , Gan Z. , Zuev M.G. , Krasilnikov V.N. , Fedorov V.E.
93Nb NMR Chemical Shift Scale for Niobia Systems
Solid State Nuclear Magnetic Resonance. 2005. V.28. N2-4. P.204-224. DOI: 10.1016/j.ssnmr.2005.09.003 WOS Scopus РИНЦ ANCAN PMID OpenAlex

Submitted:	Jun 21, 2005
Published print:	Sep 1, 2005
Published online:	Oct 10, 2005

Web of science:	WOS:000234325100015
Scopus:	2-s2.0-29144433309
Elibrary:	13478809
Chemical Abstracts:	2005:1320911
Chemical Abstracts (print):	145:179365
PMID:	16216475
OpenAlex:	W2061230610

DB	Citing
Web of science	67
Scopus	67
Elibrary	67
OpenAlex	76