X-ray, FTIR and ab initio HF studies of OHO hydrogen bond in 4-dimethylamino-2,6-dimethylpyridine N-oxide 4-toluenesulphonate. Proton transfer in O·H·O complexes and correlation between the O⋯O, C–O and N–O distances and ΔpKa-Reference-Cited by-同舟云学术

X-ray, FTIR and ab initio HF studies of OHO hydrogen bond in 4-dimethylamino-2,6-dimethylpyridine N-oxide 4-toluenesulphonate. Proton transfer in O·H·O complexes and correlation between the O⋯O, C–O and N–O distances and ΔpKa

Published:1999-06 Issue:1-3 Volume:484 Page:49-61
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Dega-Szafran Z.,Katrusiak A.,Szafran M.,Tykarska E.

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference100 articles.

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4. G.M. Sheldrick, SHELXL 93, Program for the Refinement of Crystal Structures, University of Göttingen, Germany, 1993.

5. M.J. Frish, G.W. Truck, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gompers, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. Defrees, J. Baker, J.J.P. Stewart, J.A. Pople, GAUSSIAN 94, Revision B, Gaussian, Inc., Pittsburg, PA, 1994.

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