A Molecular Level Study of the Aqueous Microsolvation of Acetylene
The ability of the water molecule to interact with a variety of molecular systems, and the paramount importance of these interactions to both chemistry and biology is well established. Numerous experimental and theoretical investigations related to these systems have been reported in the literature; for instance considerable computational and/or experimental work has been done on water clusters. Yet only limited work has been reported on the hydrophobic system acetlyene-water despite its prototypical character and its relatively high , with respect to other hydrocarbons, solubilty in water. The pertinent question therefore lies in the mechanism of the acetylene microhydration as to whether it breaks-up the water hydrogen-bond network or forms clusters of water molecules that are attached to the hydrocarbon as in the case of benzene.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 1025705
- Report Number(s):
- PNNL-SA-33399; KC0301020; TRN: US201120%%699
- Journal Information:
- Chemical Physics Letters, 340:538-546, Vol. 340, Issue 5-6; ISSN 0009-2614
- Country of Publication:
- United States
- Language:
- English
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