共 2 条
- [1] Predicting Michael-acceptor reactivity and toxicity through quantum chemical transition-state calculationsORGANIC & BIOMOLECULAR CHEMISTRY, 2011, 9 (24) : 8400 - 8412Mulliner, DenisWondrousch, DominikSchueuermann, Gerrit
Elucidating chemical reactivity and transition state of mononuclear rearrangement of heterocycles through the use of compartimentalized micellar media
被引：7
|作者：
Guernelli, Susanna
[1
]
Zappacosta, Romina
[2
]
Siani, Gabriella
[2
]
Spinelli, Domenico
[1
]
Fontana, Antonella
[2
]
机构：
[1] Univ Bologna, Dipartimento Chim Giacomo Ciamician, I-40126 Bologna, Italy
[2] Univ G dAnnunzio, Dipartimento Farm, I-66100 Chieti, Italy
关键词：
Mononuclear rearrangements of heterocycles (MRH);
Catalysis in micellar media;
Substrate localization in micelles;
Transition state;
IONIC LIQUIDS;
5-AMINO-3-BENZOYL-1,2,4-OXADIAZOLE;
3-BENZOYL-5-PHENYL-1,2,4-OXADIAZOLE;
(Z)-PHENYLHYDRAZONES;
(Z)-ARYLHYDRAZONES;
PHENYLHYDRAZONE;
DIOXANE/WATER;
PROTONATION;
COPOLYMERS;
CATALYSIS;
D O I：
10.1016/j.molcata.2013.11.029
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ;
081704 ;
摘要：
The present comprehensive kinetic investigation in micellar systems deepens and broadens the knowledge of mononuclear rearrangement of heterocycles (MRH) of Z-phenylhydrazone of 3-benzoy-15-phenyl-1,2,4-oxadiazole, reaction already carried out in different reaction media. As a matter of fact the use of four types of micelles different for charge, shape and polarity has allowed us to evaluate the role of micellar systems, as reaction media, on the rate of MRH and to quantify their catalytic effect. Moreover, the data obtained have enabled us to draw some intriguing conclusions on the localization of the substrate in the micelles, the transition state structure and the driving force of the reaction. (C) 2013 Elsevier B.V. All rights reserved.
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页码：114 / 120
页数：7
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