Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 10(21), p. 5566-5577, 2019
DOI: 10.1039/c9cp00479c
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Strong influence of weak hydrogen bonding on actinide–phosphonate complexation: accurate predictions from DFT followed by experimental validation
Journal article published in 2019 by
Aditi Chandrasekar,
Tapan K. Ghanty 
,
C. V. S. Brahmmananda Rao,
Mahesh Sundararajan ,
N. Sivaraman
,
C. V. S. Brahmmananda Rao,
Mahesh Sundararajan ,
N. Sivaraman
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Abstract
DFT rightly predicts weak-hydrogen-bond mediated preferential stability of a uranyl–organophosphonate complex, subsequently validated by complexation experiments.