Methoxy and Methyl Group Rotation: Solid-State NMR (1) H Spin-Lattice Relaxation, Electronic Structure Calculations, X-ray Diffractometry, and Scanning Electron Microscopy

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
Peter A BeckmannXianlong Wang

Abstract

We report solid-state (1) H nuclear magnetic resonance (NMR) spin-lattice relaxation experiments, X-ray diffractometry, field-emission scanning electron microscopy, and both single-molecule and cluster ab initio electronic structure calculations on 1-methoxyphenanthrene (1) and 3-methoxyphenanthrene (2) to investigate the rotation of the methoxy groups and their constituent methyl groups. The electronic structure calculations and the (1) H NMR relaxation measurements can be used together to determine barriers for the rotation of a methoxy group and its constituent methyl group and to develop models for the two coupled motions.

References

Mar 17, 2006·The Journal of Physical Chemistry. a·Xianlong WangMichelle M Francl
Sep 21, 2011·The Journal of Organic Chemistry·Anouk S LubbeBen L Feringa
Feb 11, 2012·The Journal of Chemical Physics·Peter A Beckmann, Evan Schneider
Aug 8, 2012·The Journal of Organic Chemistry·Edgar Escalante-SánchezMiguel A Garcia-Garibay
Jun 26, 2013·Journal of the American Chemical Society·Braulio Rodríguez-MolinaMiguel A Garcia-Garibay
Dec 3, 2013·The Journal of Chemical Physics·Peter A BeckmannXianlong Wang
Jan 17, 2014·The Journal of Organic Chemistry·Patrick Commins, Miguel A Garcia-Garibay
Jun 10, 2014·Journal of the American Chemical Society·Xing JiangMiguel A Garcia-Garibay
Jan 14, 2014·Journal of Chemical Theory and Computation·Ł M Mentel, E J Baerends

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Citations

Dec 18, 2015·Physical Chemistry Chemical Physics : PCCP·Peter A BeckmannArnold L Rheingold
Aug 11, 2015·Solid State Nuclear Magnetic Resonance·Peter A Beckmann
Jul 9, 2016·The Journal of Chemical Physics·Peter A Beckmann, Arnold L Rheingold
Jun 30, 2018·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Peter A BeckmannSteven T Szewczyk
Sep 12, 2019·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Peter A BeckmannArnold L Rheingold

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