Abstract
This chapter presents a theoretical or spectroscopic study of the coordination of transition-metal ions in zeolites. Knowledge about the coordination of transition-metal ions in zeolites is important for the understanding of the catalytic properties of these materials. Electron spin resonance (ESR) and diffuse reflectance spectroscopy (DRS) provide spectroscopic signatures for Cu 2+ in different zeolites. High-level theoretical calculations are used for the assignment of the spectroscopic signals to specific coordination modes.
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