Relationship between [super 1]H chemical shifts of deuterated pyridinium ions and Bronsted acid strength of solid acids
Article Abstract:
An 8T zeolite model with various Si-H bond lengths is utilized to denote the Bronsted acid sites with varying strengths from weak to strong to superacid and to forecast the pyridine adsorption structure and the [super 1]H chemical shift. A linear relationship is formulated between the pyridine-[d.sub.5] [super 1]H chemical shift and the proton affinity (PA) of the Bronsted acid site and it is inferred that pyridine-[d.sub.5] can be applied as a scale to describe the solid acid strength.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Single and dual cation sites in zeolites: Theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER
Article Abstract:
An investigation of the interaction of CO with K-FER zeolite is conducted by a combination of variable-temperature IR spectroscopy and computational study. A combination of theoretical calculations using a periodic density functional model and experimental results reveal formation of two types of monocarbonyls.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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