Published March 22, 2022 | Version v1
Journal article Open

Dipolar Heteronuclear Correlation Solid-State NMR Experiments Between Half-Integer Quadrupolar Nuclei: The Case of 11B-17O

Authors/Creators

  • 1. Department of Chemistry, Iowa State University, Ames, Iowa 50011, United States; Ames Laboratory, US Department of Energy, Ames, Iowa 50011, United States
  • 2. Ames Laboratory, US Department of Energy, Ames, Iowa 50011, United States
  • 3. National High Magnetic Field Laboratory (NHMFL), Tallahassee, Florida 32310, United States
  • 4. Department of Chemistry, Iowa State University, Ames, Iowa 50011, United States

Description

Raw NMR data, SIMPSON numerical simulation files, MATLAB codes, and CASTEP DFT calculated .cif and .magres files

Notes

This work was primarily supported by the National Science Foundation under Grant No. CBET-1916809. Borate glass synthesis (A.L.P.) was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. The Ames Laboratory is operated for the U.S. DOE by Iowa State University under Contract DE-AC02-07CH11358. A.J.R. acknowledges additional support from the Alfred P. Sloan Foundation through a Sloan research fellowship. This study made use of the National High Magnetic Field Laboratory to perform solid-state NMR spectroscopy experiments at high field. The National High Magnetic Field Laboratory is supported by the National Science Foundation through NSF/DMR-1644779 and the State of Florida.

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11B-17O DFT.zip

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