中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Resonance Raman Spectrum of Fe-AlPO4-5 Zeolite
作者: Sun Ke-Ju1, 2;  Li Wei -Xue1;  Feng Zhao-Chi1;  Li Can1
关键词: Density functional theory ;  Fe-AlPO4-5 ;  Resonance Raman spectroscopy
刊名: ACTA PHYSICO-CHIMICA SINICA
发表日期: 2009-04-01
DOI: 10.3866/PKU.WHXB20090401
卷: 25, 期:4, 页:606-610
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
英文摘要: Resonance Raman spectrum results from the study of silica zeolites that contain transition metals by density functional theory (DFT) calculations were extended successfully to an aluminum phosphate zeolite system. Based on the study of the resonance Raman spectrum of Fe-ZSM-5 and DFT calculations of Fe-AlPO4-5, we predicted the presence of four vibrational bands at 1190, 1130, 1000-1050 and 600 cm(-1) in the resonance Raman spectrum of Fe-AlPO4-5. Experimentally those four bands were found at 1210, 1130, 1050, and 630 cm(-1) in the Raman spectrum of Fe-AlPO4-5, excited by a 244 nm laser, and were assigned to the framework Fe species. The resonance Raman spectrum of Fe-AlPO4-5 is similar to that of the Fe-ZSM-5 zeolite since both zeolites have similar tetrahedrally coordinated Fe species in the framework. However, the vibrational frequencies of Fe-AlPO4-5 are higher than those of Fe-ZSM-5 because of the higher force constant of oxygen in Al-O-P than in Si-O-Si. Furthermore, the effect of the electrostatic attraction between the PO4 tetrahedron and the AlO4 tetrahedron is found to be important to the vibrational frequencies.
关键词[WOS]: ALUMINOPHOSPHATE MOLECULAR-SIEVES ;  TOTAL-ENERGY CALCULATIONS ;  AUGMENTED-WAVE METHOD ;  SET MODEL CHEMISTRY ;  SELECTIVE OXIDATION ;  SPECTROSCOPY ;  DYNAMICS ;  DENSITY ;  TRANSITION ;  CATALYSTS
语种: 英语
WOS记录号: WOS:000265197400002
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/141618
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Liaoning Prov, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China

Recommended Citation:
Sun Ke-Ju,Li Wei -Xue,Feng Zhao-Chi,et al. Resonance Raman Spectrum of Fe-AlPO4-5 Zeolite[J]. ACTA PHYSICO-CHIMICA SINICA,2009,25(4):606-610.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Sun Ke-Ju]'s Articles
 [Li Wei -Xue]'s Articles
 [Feng Zhao-Chi]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Sun Ke-Ju]‘s Articles
 [Li Wei -Xue]‘s Articles
 [Feng Zhao-Chi]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace