Adlayer structures of pyridine base molecules over zeolite (010) surfaces: a semi-empirical study based on AFM observations
✍ Scribed by Komiyama, Masaharu; Shimaguchi, Takemi; Kobayashi, Mayumi; Wu, Hai-Ming; Okada, Takao
- Book ID
- 101223151
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 117 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0142-2421
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✦ Synopsis
The molecular array structures and molecular orientations within the adlayers of pyridine base molecules (pyridine and b-picoline) liquid-phase-adsorbed on (010) surfaces of natural zeolites (heulandite and stilbite) determined by in situ atomic force microscopy (AFM) were examined by semi-empirical molecular orbital calculations. All the adlayers studied possess (quasi-)hexagonal array structures, with di †erent two-dimensional lattice constants for di †erent adsorption systems. The AFM-observed array structures were close to the calculated energy minima with respect to their unit cell dimensions. The AFM-observed molecular orientation within the b-picoline adlayer was also energetically the most favourable among possible molecular orientations. Molecular tilt angles, which were not determined by AFM, were estimated by the semi-empirical calculations.