Condensation and esterification reactions of alkanals, alkanones, and alkanols on TiO2: Elementary steps, site requirements, and synergistic effects of bifunctional strategies
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- 作者：Shuai Wang ; Konstantinos Goulas1 ; Enrique Iglesia ; iglesia@berkeley.edu" class="auth_mail" title="E-mail the corresponding author
- 关键词：TiO2 ; Aldol condensation ; Esterification ; Oxygenate catalysis ; Enolates ; Bifunctional stabilization ; Density functional theory ; Site titrations
- 刊名：Journal of Catalysis
- 出版年：2016
- 出版时间：August 2016
- 年：2016
- 卷：340
- 期：Complete
- 页码：302-320
- 全文大小：2960 K
文摘
- •
Rate, selectivity, and stability in condensation/esterification improved by bifunctional strategies.
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Number and type of active Ti
O site pairs determined by titrations during catalysis.- •
Enolate formation is the common kinetically-relevant step.
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Enolates form C
C and CO bonds via reactions with alkanal/alkanones and 1-alkanols, respectively.- •
Suitable acid–base distance and moderate strength are required for active acid–base site pairs.