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Adlayer structures of pyridine base molecules over zeolite (010) surfaces: a semi‐empirical study based on AFM observations
Author(s) -
Komiyama Masaharu,
Shimaguchi Takemi,
Kobayashi Mayumi,
Wu HaiMing,
Okada Takao
Publication year - 1999
Publication title -
surface and interface analysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.52
H-Index - 90
eISSN - 1096-9918
pISSN - 0142-2421
DOI - 10.1002/(sici)1096-9918(199905/06)27:5/6<332::aid-sia483>3.0.co;2-5
Subject(s) - chemistry , pyridine , molecule , mica , crystallography , molecular dynamics , adsorption , molecular orbital , chemical physics , atomic force microscopy , computational chemistry , nanotechnology , materials science , organic chemistry , composite material
The molecular array structures and molecular orientations withinthe adlayers of pyridine base molecules (pyridine andβ‐picoline) liquid‐phase‐adsorbed on(010) surfaces of natural zeolites (heulandite andstilbite) determined by in situ atomic force microscopy(AFM) were examined by semi‐empirical molecularorbital calculations. All the adlayers studied possess(quasi‐)hexagonal array structures, with differenttwo‐dimensional lattice constants for different adsorptionsystems. The AFM‐observed array structures were close to thecalculated energy minima with respect to their unit cell dimensions.The AFM‐observed molecular orientation within theβ‐picoline adlayer was also energetically the mostfavourable among possible molecular orientations. Molecular tiltangles, which were not determined by AFM, were estimated by thesemi‐empirical calculations. Copyright © 1999 John Wiley& Sons, Ltd.