TY - JOUR

T1 - Modern ssNMR for heterogeneous catalysis

AU - Lapina, Olga B.

PY - 2017/1/1

Y1 - 2017/1/1

N2 - This review is devoted to modern applications of solid state NMR (ssNMR) to the structural studies of heterogeneous catalysts. Recent developments of ssNMR combining high magnetic fields up to 23.5 T, high rotation frequencies up to 120 kHz, and the new software of spectra acquisition and processing coupled with quantum chemistry calculations allow unravel the 3D structure of active sites of the sophisticated structures, such as heterogeneous catalysts. Moreover, this opens a possibility of investigation of low sensibility nuclei that are generally assigned as inappropriate for NMR. Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy (DNP-SENS) is another powerful technique extending NMR application for surface feature investigation. Combination of modern ssNMR (including DNP) and DFT calculations synthesize the most powerful approach (so called NMR crystallography) of structural research of catalysts which is demonstrated on several remarkable application examples on challenging nuclei.

AB - This review is devoted to modern applications of solid state NMR (ssNMR) to the structural studies of heterogeneous catalysts. Recent developments of ssNMR combining high magnetic fields up to 23.5 T, high rotation frequencies up to 120 kHz, and the new software of spectra acquisition and processing coupled with quantum chemistry calculations allow unravel the 3D structure of active sites of the sophisticated structures, such as heterogeneous catalysts. Moreover, this opens a possibility of investigation of low sensibility nuclei that are generally assigned as inappropriate for NMR. Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy (DNP-SENS) is another powerful technique extending NMR application for surface feature investigation. Combination of modern ssNMR (including DNP) and DFT calculations synthesize the most powerful approach (so called NMR crystallography) of structural research of catalysts which is demonstrated on several remarkable application examples on challenging nuclei.

KW - Challenging nuclei

KW - Dynamic nuclear polarization surface enhanced NMR spectroscopy

KW - Heterogeneous catalysts

KW - NMR crystallography

KW - Solid state nuclear magnetic resonance

KW - ssNMR

KW - ANGLE-SPINNING NMR

KW - SOLID-STATE NMR

KW - NB-93 NMR

KW - ACTIVE-SITES

KW - O-17 MAS NMR

KW - NATURAL-ABUNDANCE

KW - DYNAMIC NUCLEAR-POLARIZATION

KW - METAL-ORGANIC FRAMEWORKS

KW - MAGNETIC-RESONANCE

KW - BRONSTED ACID SITES

UR - http://www.scopus.com/inward/record.url?scp=85006999249&partnerID=8YFLogxK

U2 - 10.1016/j.cattod.2016.11.005

DO - 10.1016/j.cattod.2016.11.005

M3 - Article

AN - SCOPUS:85006999249

VL - 285

SP - 179

EP - 193

JO - Catalysis Today

JF - Catalysis Today

SN - 0920-5861

ER -