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Volumn 26, Issue 8, 2010, Pages 5808-5814

A framework for predicting surface areas in microporous coordination polymers

Author keywords

[No Author keywords available]

Indexed keywords

ACCESSIBLE SURFACE AREAS; BUILDING BLOCKES; COORDINATION POLYMERS; DATA INPUT; EXPERIMENTAL VERIFICATION; METAL CLUSTER; MICROPOROUS; NEW MATERIAL; PADDLE WHEELS; PREDICTIVE TOOLS; RATIO ANALYSIS; STRUCTURAL COLLAPSE; SURFACE AREA; SURFACE AREA ANALYSIS;

EID: 77950936864     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la9037292     Document Type: Article
Times cited : (61)

References (44)
  • 8
    • 77950952923 scopus 로고    scopus 로고
    • The source code was downloaded from the following Web site and compiled with gfortran
    • The source code was downloaded from the following Web site and compiled with gfortran: http://www.see.ed.ac.uk/tduren/research/surface-area/non-ortho/.
  • 12
    • 77950940120 scopus 로고    scopus 로고
    • The term site is used to convey the concept that different adsorptive interactions arise depending on the chemical nature of the host material. At most temperatures relevant to adsorption, guest interaction is a dynamic process
    • The term site is used to convey the concept that different adsorptive interactions arise depending on the chemical nature of the host material. At most temperatures relevant to adsorption, guest interaction is a dynamic process.
  • 22
    • 77950945315 scopus 로고    scopus 로고
    • Because these equations are derived for benzenoid systems, the physical significance of a LiMe ratio implying less than one benzene ring is suspect in any case. It might be imagined that a LiMe ratio of zero is equivalent to an oxalate connected metal cluster; however, the LiMe ratio equation subtracts surface area overlap between linker and metal cluster components in the b value. At a LiMe ratio equal to zero, the equation underestimates the surface area because it subtracts this correction factor even though the oxalate connected metal cluster structure does not contain a linker
    • Because these equations are derived for benzenoid systems, the physical significance of a LiMe ratio implying less than one benzene ring is suspect in any case. It might be imagined that a LiMe ratio of zero is equivalent to an oxalate connected metal cluster; however, the LiMe ratio equation subtracts surface area overlap between linker and metal cluster components in the b value. At a LiMe ratio equal to zero, the equation underestimates the surface area because it subtracts this correction factor even though the oxalate connected metal cluster structure does not contain a linker.
  • 30
    • 77950935615 scopus 로고    scopus 로고
    • Experimental surface areas in the literature are not consistently reported in terms of method and pressure range. We report BET surface areas whenever available; however, it must be noted that even these values may fluctuate depending on the pressure range used for analysis.
    • Experimental surface areas in the literature are not consistently reported in terms of method and pressure range. We report BET surface areas whenever available; however, it must be noted that even these values may fluctuate depending on the pressure range used for analysis.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.