Effect of interaction with H2O and NH3 on the vibrational, electronic, and energetic peculiarities of Ti(IV) centers TS-1 catalysts:: A spectroscopic and computational study

被引:114
作者
Bordiga, S
Damin, A
Bonino, F
Zecchina, A
Spanò, G
Rivetti, F
Bolis, V
Prestipino, C
Lamberti, C
机构
[1] IFM Univ Torino, Dipartimento Chim, I-10125 Turin, Italy
[2] Ist G Donegani SpA Montedison, Ctr Ric Novara, Polimeri Europa SRL, I-28100 Novara, Italy
[3] Univ Piemonte Orientale, Dipartimento Sci Chim Alimentari Farmaceut & Farm, I-28100 Novara, Italy
[4] INFM UdR Torino Univ, I-10125 Turin, Italy
关键词
D O I
10.1021/jp026106t
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
In this work we present an exhaustive, experimental and theoretical, investigation on the structural, vibrational, electronic, and energetic properties of TS-1 catalyst. The perturbation induced by adsorption of water and ammonia ligands, which represent two key molecules in the industrial processes catalyzed by TS-1, is also discussed in great detail on both experimental and computational ground. Theory and experiments allow us to present a picture able to describe in a satisfactory way the interaction of both molecules with Ti(IV) sites and with the hosting siliceous matrix.
引用
收藏
页码:9892 / 9905
页数:14
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