New penta- and hexa-coordinated titanium sites in titanium silicalite-1 catalyst for propylene epoxidation

Yanli Wang; Hong Yang; Yi Zuo; Dongxu Tian; Guangjin Hou; Yaqiong Su; Zhaochi Feng; Xinwen Guo; Can Li

doi:10.1016/j.apcatb.2023.122396

New penta- and hexa-coordinated titanium sites in titanium silicalite-1 catalyst for propylene epoxidation

Yanli Wang
, Hong Yang
, Yi Zuo
, Dongxu Tian
, Guangjin Hou
, Yaqiong Su
, Zhaochi Feng
, Xinwen Guo
, Can Li

School of Chemistry

Research output: Contribution to journal › Article › peer-review

60 Scopus citations

Abstract

Creating and identifying catalytically active titanium sites is vital to further enhance performance of titanium-containing zeolites, particularly for environmentally friendly titanium silicalite-1 catalyst (TS-1). Herein, we prepared a typical TS-1 with two new Ti-sites including the penta-coordinated Ti(OH)₂(OSi)₃ and hexa-coordinated Ti(OH)₄(OSi)₂. They are identified by UV resonance Raman spectroscopy and their coordination structures delineated by density functional theory calculations. Evaluated by propylene epoxidation to propylene oxide, Ti(OH)₄(OSi)₂ is more active than Ti(OH)₂(OSi)₃. Furthermore, Ti(OH)₄(OSi)₂ delivers the catalytic activity about 8.7 times the activity of known tetra-coordinated framework Ti(OSi)₄ sites. Thus, Ti(OH)₄(OSi)₂ is found to be highly active in this reaction.

Original language	English
Article number	122396
Journal	Applied Catalysis B: Environmental
Volume	325
DOIs	https://doi.org/10.1016/j.apcatb.2023.122396
State	Published - 15 May 2023

Keywords

Propylene epoxidation
Ti sites
Titanium silicalite-1 catalyst
UV resonance Raman spectroscopy

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10.1016/j.apcatb.2023.122396

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title = "New penta- and hexa-coordinated titanium sites in titanium silicalite-1 catalyst for propylene epoxidation",

abstract = "Creating and identifying catalytically active titanium sites is vital to further enhance performance of titanium-containing zeolites, particularly for environmentally friendly titanium silicalite-1 catalyst (TS-1). Herein, we prepared a typical TS-1 with two new Ti-sites including the penta-coordinated Ti(OH)2(OSi)3 and hexa-coordinated Ti(OH)4(OSi)2. They are identified by UV resonance Raman spectroscopy and their coordination structures delineated by density functional theory calculations. Evaluated by propylene epoxidation to propylene oxide, Ti(OH)4(OSi)2 is more active than Ti(OH)2(OSi)3. Furthermore, Ti(OH)4(OSi)2 delivers the catalytic activity about 8.7 times the activity of known tetra-coordinated framework Ti(OSi)4 sites. Thus, Ti(OH)4(OSi)2 is found to be highly active in this reaction.",

keywords = "Propylene epoxidation, Ti sites, Titanium silicalite-1 catalyst, UV resonance Raman spectroscopy",

author = "Yanli Wang and Hong Yang and Yi Zuo and Dongxu Tian and Guangjin Hou and Yaqiong Su and Zhaochi Feng and Xinwen Guo and Can Li",

note = "Publisher Copyright: {\textcopyright} 2023",

year = "2023",

month = may,

day = "15",

doi = "10.1016/j.apcatb.2023.122396",

language = "英语",

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TY - JOUR

T1 - New penta- and hexa-coordinated titanium sites in titanium silicalite-1 catalyst for propylene epoxidation

AU - Wang, Yanli

AU - Yang, Hong

AU - Zuo, Yi

AU - Tian, Dongxu

AU - Hou, Guangjin

AU - Su, Yaqiong

AU - Feng, Zhaochi

AU - Guo, Xinwen

AU - Li, Can

PY - 2023/5/15

Y1 - 2023/5/15

N2 - Creating and identifying catalytically active titanium sites is vital to further enhance performance of titanium-containing zeolites, particularly for environmentally friendly titanium silicalite-1 catalyst (TS-1). Herein, we prepared a typical TS-1 with two new Ti-sites including the penta-coordinated Ti(OH)2(OSi)3 and hexa-coordinated Ti(OH)4(OSi)2. They are identified by UV resonance Raman spectroscopy and their coordination structures delineated by density functional theory calculations. Evaluated by propylene epoxidation to propylene oxide, Ti(OH)4(OSi)2 is more active than Ti(OH)2(OSi)3. Furthermore, Ti(OH)4(OSi)2 delivers the catalytic activity about 8.7 times the activity of known tetra-coordinated framework Ti(OSi)4 sites. Thus, Ti(OH)4(OSi)2 is found to be highly active in this reaction.

AB - Creating and identifying catalytically active titanium sites is vital to further enhance performance of titanium-containing zeolites, particularly for environmentally friendly titanium silicalite-1 catalyst (TS-1). Herein, we prepared a typical TS-1 with two new Ti-sites including the penta-coordinated Ti(OH)2(OSi)3 and hexa-coordinated Ti(OH)4(OSi)2. They are identified by UV resonance Raman spectroscopy and their coordination structures delineated by density functional theory calculations. Evaluated by propylene epoxidation to propylene oxide, Ti(OH)4(OSi)2 is more active than Ti(OH)2(OSi)3. Furthermore, Ti(OH)4(OSi)2 delivers the catalytic activity about 8.7 times the activity of known tetra-coordinated framework Ti(OSi)4 sites. Thus, Ti(OH)4(OSi)2 is found to be highly active in this reaction.

KW - Propylene epoxidation

KW - Ti sites

KW - Titanium silicalite-1 catalyst

KW - UV resonance Raman spectroscopy

UR - https://www.scopus.com/pages/publications/85146449922

U2 - 10.1016/j.apcatb.2023.122396

DO - 10.1016/j.apcatb.2023.122396

M3 - 文章

AN - SCOPUS:85146449922

SN - 0926-3373

VL - 325

JO - Applied Catalysis B: Environmental

JF - Applied Catalysis B: Environmental

M1 - 122396

ER -

New penta- and hexa-coordinated titanium sites in titanium silicalite-1 catalyst for propylene epoxidation

Abstract

Keywords

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