期刊
CHEMICAL PHYSICS LETTERS
卷 614, 期 -, 页码 282-286出版社
ELSEVIER
DOI: 10.1016/j.cplett.2014.09.052
关键词
-
资金
- Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy (DOE), through LBNL Chemical Sciences Division [DE-AC02-05CH11231]
Despite much effort, aqueous carbonic acid (H2CO3) remains poorly characterized because it is very short-lived. We describe the detection and characterization of aqueous H2CO3 by X-ray absorption spectroscopy, wherein protonation of a bicarbonate solution continuously generates the acid under ambient conditions. Accompanying first principles calculations of the carbon K-edge transitions facilitate spectral assignment and interpretation in terms of the H2CO3 pi* orbital, which exhibits a small (0.2 eV), systematic blueshift relative to that of bicarbonate. These results establish the detailed hydration properties of this short-lived molecule and will thereby facilitate future studies of carbonate chemistry in biological and geological system. (C) 2014 Published by Elsevier B.V.
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