Theoretical and experimental study of hydrodechlorination reactions on Pt- and Pd-containing zeolites

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Abstract

Chlorinated compounds emitted into the atmosphere are responsible for diminishing the ozone layer in the stratosphere. Platinum and palladium supported on different carriers play very important role in catalytic hydrodechlorination of these compounds. We have found that platinum is more selective than palladium in the hydrodechlorination of carbon tetrachloride, but not selective in the hydrodechlorination of trichloroethene and 1,1,2-thrichloroethane. Furthermore, thrichloroethene is more reactive than 1,1,2-trichloroethane. The C-Cl bond dissociation energies (BDEs) and other molecular properties, e.g. vertical electron affinities (VEAs), are important factors from which reactivity and selectivity depend. The size and the electronic structure of platinum and palladium nanoparticles also play important role in catalytic hydrodechlorination. The calculated data lend help in interpreting the experimentally found differences.

Original languageEnglish
Pages (from-to)1803-1810
Number of pages8
JournalStudies in Surface Science and Catalysis
Volume158 B
Publication statusPublished - 2005

Fingerprint

Zeolites
Palladium
Platinum
zeolites
palladium
platinum
Stratospheric Ozone
Ozone layer
ozonosphere
Trichloroethylene
Electron affinity
Carbon tetrachloride
Upper atmosphere
Carbon Tetrachloride
molecular properties
carbon tetrachloride
stratosphere
electron affinity
Electronic structure
reactivity

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Catalysis

Cite this

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title = "Theoretical and experimental study of hydrodechlorination reactions on Pt- and Pd-containing zeolites",
abstract = "Chlorinated compounds emitted into the atmosphere are responsible for diminishing the ozone layer in the stratosphere. Platinum and palladium supported on different carriers play very important role in catalytic hydrodechlorination of these compounds. We have found that platinum is more selective than palladium in the hydrodechlorination of carbon tetrachloride, but not selective in the hydrodechlorination of trichloroethene and 1,1,2-thrichloroethane. Furthermore, thrichloroethene is more reactive than 1,1,2-trichloroethane. The C-Cl bond dissociation energies (BDEs) and other molecular properties, e.g. vertical electron affinities (VEAs), are important factors from which reactivity and selectivity depend. The size and the electronic structure of platinum and palladium nanoparticles also play important role in catalytic hydrodechlorination. The calculated data lend help in interpreting the experimentally found differences.",
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journal = "Studies in Surface Science and Catalysis",
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T1 - Theoretical and experimental study of hydrodechlorination reactions on Pt- and Pd-containing zeolites

AU - Hannus, I.

AU - Fozo, M.

AU - Halász, J.

AU - Tasi, G.

PY - 2005

Y1 - 2005

N2 - Chlorinated compounds emitted into the atmosphere are responsible for diminishing the ozone layer in the stratosphere. Platinum and palladium supported on different carriers play very important role in catalytic hydrodechlorination of these compounds. We have found that platinum is more selective than palladium in the hydrodechlorination of carbon tetrachloride, but not selective in the hydrodechlorination of trichloroethene and 1,1,2-thrichloroethane. Furthermore, thrichloroethene is more reactive than 1,1,2-trichloroethane. The C-Cl bond dissociation energies (BDEs) and other molecular properties, e.g. vertical electron affinities (VEAs), are important factors from which reactivity and selectivity depend. The size and the electronic structure of platinum and palladium nanoparticles also play important role in catalytic hydrodechlorination. The calculated data lend help in interpreting the experimentally found differences.

AB - Chlorinated compounds emitted into the atmosphere are responsible for diminishing the ozone layer in the stratosphere. Platinum and palladium supported on different carriers play very important role in catalytic hydrodechlorination of these compounds. We have found that platinum is more selective than palladium in the hydrodechlorination of carbon tetrachloride, but not selective in the hydrodechlorination of trichloroethene and 1,1,2-thrichloroethane. Furthermore, thrichloroethene is more reactive than 1,1,2-trichloroethane. The C-Cl bond dissociation energies (BDEs) and other molecular properties, e.g. vertical electron affinities (VEAs), are important factors from which reactivity and selectivity depend. The size and the electronic structure of platinum and palladium nanoparticles also play important role in catalytic hydrodechlorination. The calculated data lend help in interpreting the experimentally found differences.

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