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Volumn 16, Issue 31, 2010, Pages 9340-9348

Detection of carbocationic species in zeolites: Large crystals pave the way

Author keywords

Density functional calculations; Microspectroscopy; Molecular alignment; Oligomerization; Zeolites

Indexed keywords

CARBOCATIONS; CATALYTIC REACTIVITY; DENSITY-FUNCTIONAL CALCULATIONS; EXTERNAL SURFACES; H-ZSM-5; HOST MATERIALS; IR MICRO-SPECTROSCOPY; IR SPECTRUM; LARGE CRYSTAL; MICRO SPECTROSCOPY; MICRO-POROUS; MICROPORES; MICROPOROUS ZEOLITE; MODEL SYSTEM; MOLECULAR ALIGNMENT; MOLECULAR LEVELS; OPTICAL SPECTROSCOPY; POLARIZATION DEPENDENCE; REACTIVE INTERMEDIATE; STYRENE DERIVATIVES; THEORETICAL CALCULATIONS; VIBRATIONAL TRANSITIONS; ZEOLITE CRYSTALS;

EID: 77955781538     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201000995     Document Type: Article
Times cited : (21)

References (50)
  • 29
    • 77955798671 scopus 로고    scopus 로고
    • Note
    • Please note that the highest intensity of the band at ṽ=1540-1550 cm-1 is observed when the IR light polarization is perpendicular to the long axis of the crystal (similar to the dependence of the UV/Vis spectrum as shown, for example, in refs. [16] and [17]), which is in contrast to our previous report.[18] The polarization of the infrared synchrotron beam was incorrectly determined in the previous work.
  • 30
    • 77955816199 scopus 로고    scopus 로고
    • Note
    • Note that even in the case when the light polarization is perpendicular to the straight pore orientation, the intensity of the band at ṽ= 1530 cm-1 does not reach zero. This is due to a combination of two factors. First, it is reasonable to assume that the orientation of the molecules is not exactly parallel to the straight pores, assuming some tilting angle. Second, the entire volume of the crystal is probed in the transflectance mode. In some subunits of the crystals the orientation of the crystallographic axes differs from that in the upper subunit (for a description of the crystal architecture, see ref. [11]). However, relative contributions of these factors are hard to accurately quantify.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.