{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Stoyanov ES"],"funding":["NIGMS NIH HHS"],"pagination":["1484-5"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2946644"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["132(5)"],"pubmed_abstract":["The hydrogen ion in water, H(aq)(+), is a unique H(13)O(6)(+) entity that defines the boundary of positive-charge delocalization. Its central unit is neither a C(3v) H(3)O(+) Eigen-type ion nor a typical H(5)O(2)(+) Zundel-type ion. IR spectroscopy indicates that the H(13)O(6)(+) ion has an unexpectedly long central O...O separation (>>2.43 A), showing that in comparison with the gas and solid phases, the environment of liquid water is uniquely proficient in delocalizing positive charge. These results will change the description of H(aq)(+) in textbooks of chemistry, and a more extensive delocalization of positive charge may need to be incorporated into descriptions of mechanisms of aqueous proton transport."],"journal":["Journal of the American Chemical Society"],"pubmed_title":["The structure of the hydrogen ion (H(aq)+) in water."],"pmcid":["PMC2946644"],"funding_grant_id":["R01 GM023851-29","GM023851","R01 GM023851"],"pubmed_authors":["Stoyanov ES","Stoyanova IV","Reed CA"],"additional_accession":[]},"is_claimable":false,"name":"The structure of the hydrogen ion (H(aq)+) in water.","description":"The hydrogen ion in water, H(aq)(+), is a unique H(13)O(6)(+) entity that defines the boundary of positive-charge delocalization. Its central unit is neither a C(3v) H(3)O(+) Eigen-type ion nor a typical H(5)O(2)(+) Zundel-type ion. IR spectroscopy indicates that the H(13)O(6)(+) ion has an unexpectedly long central O...O separation (>>2.43 A), showing that in comparison with the gas and solid phases, the environment of liquid water is uniquely proficient in delocalizing positive charge. These results will change the description of H(aq)(+) in textbooks of chemistry, and a more extensive delocalization of positive charge may need to be incorporated into descriptions of mechanisms of aqueous proton transport.","dates":{"release":"2010-01-01T00:00:00Z","publication":"2010 Feb","modification":"2025-06-01T01:39:58.722Z","creation":"2025-06-01T01:39:58.722Z"},"accession":"S-EPMC2946644","cross_references":{"pubmed":["20078058"],"doi":["10.1021/ja9101826"]}}