Nonexponential Solid State 1H and 19F Spin-Lattice Relaxation, Single-crystal X-ray Diffraction, and Isolated-Molecule and Cluster Electronic Structure Calculations in an Organic Solid Coupled Methyl Group Rotation and Methoxy Group Libration in 4,4′-Dimethoxyoctafluorobiphenyl

We investigate the relationship between intramolecular rotational dynamics and molecular and crystal structure in 4,4'-dimethoxyoctafluorobiphenyl. The techniques are electronic structure calculations, X-ray diffractometry, and 1H and 19F solid state nuclear magnetic resonance relaxation. We compute...

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Journal Title: The Journal of Physical Chemistry A Vol. 116; no. 48; pp. 11946 - 11956
Authors: Scott Kassel, Donald P. Fahey, William Dougherty, Xianlong Wang, Peter A. Beckmann
Format: Article
Language: English
Published: 12/06/2012