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Proton‐Assisted Ethylene Hydration in Aqueous Solution
Author(s) -
van Erp Titus S.,
Meijer Evert Jan
Publication year - 2004
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200353103
Subject(s) - solvation , aqueous solution , ethylene , proton , chemistry , ab initio , molecular dynamics , computational chemistry , chemical physics , molecule , organic chemistry , catalysis , quantum mechanics , physics
Specific coordination structures like those shown are crucial for inducing reactive events in the proton‐assisted hydration of ethylene in aqueous solution as well as in the reverse reaction. An atomistic description of the solvation of the reacting species was possible in this ab initio molecular dynamics study.