Open Access
Symmetry, volume 13, issue 2, pages 258
Self-Assembly of Hydrogen-Bonded Cage Tetramers of Phosphonic Acid
Publication type: Journal Article
Publication date: 2021-02-04
Chemistry (miscellaneous)
Physics and Astronomy (miscellaneous)
General Mathematics
Computer Science (miscellaneous)
Abstract
The self-association of phosphonic acids with general formula RP(O)(OH)2 in solution state remains largely unexplored. The general understanding is that such molecules form multiple intermolecular hydrogen bonds, but the stoichiometry of self-associates and the bonding motifs are unclear. In this work, we report the results of the study of self-association of tert-butylphosphonic acid using low temperature liquid-state 1H and 31P NMR spectroscopy (100 K; CDF3/CDF2Cl) and density functional theory (DFT) calculations. For the first time, we demonstrate conclusively that polar aprotic medium tert-butylphosphonic acid forms highly symmetric cage-like tetramers held by eight OHO hydrogen bonds, which makes the complex quite stable. In these associates. each phosphonic acid molecule is bonded to three other molecules by forming two hydrogen bonds as proton donor and two hydrogen bonds as proton acceptor. Though the structure of such cage-like tetramers is close to tetrahedral, the formal symmetry of the self-associate is C2.
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Physical Chemistry Chemical Physics
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Citations by publishers
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Multidisciplinary Digital Publishing Institute (MDPI)
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Multidisciplinary Digital Publishing Institute (MDPI)
4 publications, 44.44%
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Royal Society of Chemistry (RSC)
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Royal Society of Chemistry (RSC)
4 publications, 44.44%
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Giba I. S., Tolstoy P. M. Self-Assembly of Hydrogen-Bonded Cage Tetramers of Phosphonic Acid // Symmetry. 2021. Vol. 13. No. 2. p. 258.
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Giba I. S., Tolstoy P. M. Self-Assembly of Hydrogen-Bonded Cage Tetramers of Phosphonic Acid // Symmetry. 2021. Vol. 13. No. 2. p. 258.
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TY - JOUR
DO - 10.3390/sym13020258
UR - https://doi.org/10.3390%2Fsym13020258
TI - Self-Assembly of Hydrogen-Bonded Cage Tetramers of Phosphonic Acid
T2 - Symmetry
AU - Giba, Ivan S
AU - Tolstoy, Peter M.
PY - 2021
DA - 2021/02/04 00:00:00
PB - Multidisciplinary Digital Publishing Institute (MDPI)
SP - 258
IS - 2
VL - 13
SN - 2073-8994
ER -
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@article{2021_Giba,
author = {Ivan S Giba and Peter M. Tolstoy},
title = {Self-Assembly of Hydrogen-Bonded Cage Tetramers of Phosphonic Acid},
journal = {Symmetry},
year = {2021},
volume = {13},
publisher = {Multidisciplinary Digital Publishing Institute (MDPI)},
month = {feb},
url = {https://doi.org/10.3390%2Fsym13020258},
number = {2},
pages = {258},
doi = {10.3390/sym13020258}
}
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Giba, Ivan S., et al. “Self-Assembly of Hydrogen-Bonded Cage Tetramers of Phosphonic Acid.” Symmetry, vol. 13, no. 2, Feb. 2021, p. 258. https://doi.org/10.3390%2Fsym13020258.
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