Abstract
In the work vibrational spectra have been used to describe the framework aluminosilicate structures. Results of spectra calculations carried out for isolated, overtetrahedral structural units which occur in silicates and aluminosilicates are presented. Clusters composed of single and double silico- and alumino-oxygen rings with various numbers of members (4 and 6) containing terminal hydrogen atoms have been chosen for calculations. These clusters have constituted the model analogues of secondary building units (SBU) existing in real zeolite structures. The units selected for calculations have differed in the degree of substitution of silicon atoms with aluminum ones in tetrahedral positions. Visualization of individual vibrations performed has facilitated the band assignments. The results obtained have been used in the interpretation of experimental framework silicates (zeolites) spectra containing the same types of SBU in their structures. The spectra have been analyzed mainly in the ring vibrations region with the aim to determine the influence of aluminum on the spectrum.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
