ChemInform Abstract: O-H Stretching Frequencies in NaHX and NaHY Zeolites: IR Spectroscopic Studies and Quantum Chemical Calculations.

✍ Scribed by J. DATKA; E. BROCLAWIK; B. GIL; M. SIERKA

• Publisher: John Wiley and Sons
• Year: 2010
• Weight: 27 KB
• Volume: 28
• Category: Article
• ISSN: 0931-7597
• DOI: 10.1002/chin.199710012

✦ Synopsis

IR and Raman spectra

IR and Raman spectra (solids and liquids) D 6530

10 -012

O-H Stretching Frequencies in NaHX and NaHY Zeolites: IR Spectroscopic Studies and Quantum Chemical Calculations. -Quantum chemical calculations on the O-H stretching frequencies of ( AlO)n-1(SiO)4-nSi-OH-Al(OSi)3 (n = 1-4) types of hydroxy groups in NaHX and NaHY zeolites by an optimized MNDO method show good agreements with IR spectroscopic data. The calculations confirm the assumption that the acidic properties of the Al-OH-Si hydroxy groups in both zeolites exhibiting various Si:Al ratios strongly depend on the chemical environment of the bridge and demonstrate the existence of four types of bridging OH groups distinguished by the number of Al atoms.