A close view of the organic linker in a MOF: structural insights from a combined 1H NMR relaxometry and computational investigation-Reference-Cited by-同舟云学术

A close view of the organic linker in a MOF: structural insights from a combined 1H NMR relaxometry and computational investigation

Author:

Pizzanelli Silvia¹²³⁴^ORCID,Monti Susanna¹²³⁴^ORCID,Gordeeva Larisa G.⁵⁶⁷⁸⁶,Solovyeva Marina V.⁵⁶⁷⁸⁶,Freni Angelo¹²³⁴,Forte Claudia¹²³⁴^ORCID

Affiliation:

1. CNR-ICCOM

2. Institute of the Chemistry of Organometallic Compounds

3. 56124 Pisa

4. Italy

5. Boreskov Institute of Catalysis

6. Novosibirsk 630090

7. Russia

8. Novosibirsk State University

Abstract

Fast Field Cycling NMR combined with ReaxFF MDs and the PAW/GIPAW approach is used to characterize the amine nitrogen EFG tensor and its dynamics.

Funder

Regione Toscana

Horizon 2020 Framework Programme

Russian Foundation for Basic Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference45 articles.

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