ISSN:
1573-1111
Schlagwort(e):
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
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
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.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF00662996
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