Unravelling the Disordered Hydrogen Bonding Arrangement in Solid Triphenylmethanol
| Autor: | Abil E. Aliev, Christopher Glidewell, Chick C Wilson, Marta Bach-Vergés, Simon J. Kitchin, Benson M. Kariuki, Winnie W Kagunya, Kenneth D. M. Harris, Elizabeth J. MacLean, Heliodoro Serrano-González |
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| Rok vydání: | 1999 |
| Předmět: | |
| Zdroj: | The Journal of Physical Chemistry B. 103:6215-6223 |
| ISSN: | 1520-5207 1520-6106 |
| DOI: | 10.1021/jp990803c |
| Popis: | In the crystal structure of triphenylmethanol (Ph3COH), the molecules form hydrogen-bonded tetramers, with the oxygen atoms positioned approximately at the corners of a tetrahedron. In the average crystal structure, three of the Ph3COH molecules (denoted as “basal”) in the tetramer are related to each other by a 3-fold rotation axis and the fourth molecule (denoted as “apical”) lies on this axis. Previously, the dynamic properties of the hydrogen-bonding arrangement have been probed through solid-state 2H NMR spectroscopic investigations of Ph3COD. There are two dynamically distinguishable types of hydroxyl hydrogen atoms (deuterons), denoted d1 and d3, with relative populations in the ratio 1:3. Each d1 deuteron undergoes three-site 120° jumps by rotation about the C−OD bond, with equal populations of the three sites involved in this motion. Each d3 deuteron undergoes two-site 120° jumps by rotation about the C−OD bond, with equal populations of the two sites involved in this motion. In the present paper... |
| Databáze: | OpenAIRE |
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