Studies on hydroxy inclusion complexes. I. Host-guest interaction of the molecular complexes of 9-hydroxy-9-(1-propynyl) fluorene and 1,1-Bis (2,4-dimethylphenyl)-2-butyn-1-ol with water,methanol, ethanol,andn-propanol |
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| Authors: | Jae Min Shin Fumio Toda Mu Shik Jhon |
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| Affiliation: | (1) Department of Chemistry, Korea Advanced Institute of Science and Technology, Cheong Ryang Ri, P.O. Box 150, Seoul, Korea;(2) Department of Industrial Chemistry, Faculty of Engineering, Ehime University, 790 Matsuyama, Japan |
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| Abstract: | Molecular inclusion by hydroxy host systems (9-hydroxy-9-(1-propynyl)fluorene+guest and 1,1-bis(2,4-dimethylphenyl)-2-butyn-1-ol+guest) has been investigated by using an empirical potential function. Water, methanol, ethanol, andn-propanol have been employed as guest molecules and their relative stabilities are considered. Alcohol is found to be more suitable than water as a guest molecule in the two tested host molecules. It is also found that the nonbonded interaction is the most important factor in determining the relative stabilities of hydroxy host systems. |
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| Keywords: | 9-hydroxy-9-(1-propynyl)fluorene 1 1-bis(2 4-dimethylphenyl)-2-butyn-1-ol water methanol ethanol n-propanol molecular inclusion nonbonded interaction relative stability |
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