WFRF:(Maris Assimo)
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- Li, Weixing (author)
Atmospherically relevant acrolein-water complexes : spectroscopic evidence of aldehyde hydration and oxygen atom exchange
- Article/chapterEnglish2019
Publisher, publication year, extent ...
- 2019
- Royal Society of Chemistry (RSC),2019
- printrdacarrier
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- LIBRIS-ID:oai:DiVA.org:su-176515
- https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-176515URI
- https://doi.org/10.1039/c9cp04910jDOI
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- Language:English
- Summary in:English
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- Direct spectroscopic evidence of a reaction occurring between acrolein and water and involving the exchange of an oxygen atom has been obtained by characterizing the non-covalently bound water complexes and their isotopic forms, via rotational spectroscopy. The experimental geometries of the binary and ternary water complexes have been determined, and other stationary points on the reaction path have been characterized using ab initio quantum chemical methods at the MP2/6-311++G(d,p) level. These results can enhance the understanding of the water-mediated atmospherically important reactions involving acrolein.
Subject headings and genre
- NATURVETENSKAP Kemi hsv//swe
- NATURAL SCIENCES Chemical Sciences hsv//eng
- NATURVETENSKAP Fysik hsv//swe
- NATURAL SCIENCES Physical Sciences hsv//eng
Added entries (persons, corporate bodies, meetings, titles ...)
- Maris, Assimo (author)
- Calabrese, Camilla (author)
- Usabiaga, Imanol (author)
- Geppert, Wolf D.Stockholms universitet,Fysikum(Swepub:su)wgeppert (author)
- Evangelisti, Luca (author)
- Melandri, Sonia (author)
- Stockholms universitetFysikum (creator_code:org_t)
Related titles
- In:Physical Chemistry, Chemical Physics - PCCP: Royal Society of Chemistry (RSC)21:42, s. 23559-235661463-90761463-9084
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