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| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 02974naa a2200421 4500 | |
| 001 | oai:gup.ub.gu.se/148069 | |
| 003 | SwePub | |
| 008 | 240528s2011 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://gup.ub.gu.se/publication/1480692 URI |
| 024 | 7 | a https://doi.org/10.1039/c1cp21070j2 DOI |
| 040 | a (SwePub)gu | |
| 041 | a eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a ref2 swepub-contenttype |
| 072 | 7 | a art2 swepub-publicationtype |
| 100 | 1 | a Zatula, Alexey4 aut |
| 245 | 1 0 | a Proton mobility and stability of water clusters containing the bisulfate anion, HSO4-(H2O)n |
| 264 | 1 | b Royal Society of Chemistry (RSC),c 2011 |
| 520 | a Bisulfate water clusters, HSO(4)-(H(2)O)(n), have been studied both experimentally by a quadrupole time-of-flight mass spectrometer and by quantum chemical calculations. For the cluster distributions studied, there are some possible "magic number" peaks, although the increase in abundance compared to their neighbours is small. Experiments with size-selected clusters with n = 0-25, reacting with D(2)O at a center-of-mass energy of 0.1 eV, were performed, and it was observed that the rate of hydrogen/deuterium exchange is lower for the smallest clusters (n < 8) than for the larger (n > 11), with a transition taking place in the range n = 8-11. We propose that the protonic defect of the bisulfate ion remains rather stationary unless the degree of hydration reaches a given level. In addition, it was observed that H/D scrambling becomes close to statistically randomized for the larger clusters. Insight into this size dependency was obtained by B3LYP/6-311++G(2d, 2p) calculations for HSO(4)(-)(H(2)O)(n) with n = 0-10. In agreement with experimental observations, these calculations suggest pronounced effectiveness of a "see-saw mechanism" for pendular proton transfer with increasing HSO(4)(-)(H(2)O)(n) cluster size. | |
| 650 | 7 | a NATURVETENSKAPx Kemix Fysikalisk kemi0 (SwePub)104022 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Chemical Sciencesx Physical Chemistry0 (SwePub)104022 hsv//eng |
| 653 | a sulfuric-acid | |
| 653 | a particle formation | |
| 653 | a h2so4 | |
| 653 | a ions | |
| 653 | a exchange | |
| 653 | a nucleation | |
| 653 | a aerosol | |
| 653 | a hydration | |
| 653 | a energies | |
| 653 | a climate | |
| 700 | 1 | a Andersson, Patrik U,d 1970u Gothenburg University,Göteborgs universitet,Institutionen för kemi,Department of Chemistry4 aut0 (Swepub:gu)xandpa |
| 700 | 1 | a Ryding, Mauritz Johan,d 1981u Gothenburg University,Göteborgs universitet,Institutionen för kemi,Department of Chemistry4 aut0 (Swepub:gu)xrydim |
| 700 | 1 | a Uggerud, Einar4 aut |
| 710 | 2 | a Göteborgs universitetb Institutionen för kemi4 org |
| 773 | 0 | t Physical Chemistry Chemical Physicsd : Royal Society of Chemistry (RSC)g 13:29, s. 13287-13294q 13:29<13287-13294x 1463-9076x 1463-9084 |
| 856 | 4 8 | u https://gup.ub.gu.se/publication/148069 |
| 856 | 4 8 | u https://doi.org/10.1039/c1cp21070j |
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