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Summary: Behavior of Benzene in Na-X and Na-Y Zeolites: Comparative Study by 2H NMR and
Molecular Mechanics
Scott M. Auerbach*
Departments of Chemistry and Chemical Engineering, UniVersity of Massachusetts,
Amherst, Massachusetts 01003
Lucy M. Bull, Neil J. Henson,, Horia I. Metiu,§, and Anthony K. Cheetham*,,,§
Departments of Chemistry, Materials, Physics, and the Materials Research Laboratory,
UniVersity of California, Santa Barbara, California 93106
ReceiVed: NoVember 6, 1995; In Final Form: January 19, 1996X
We have performed solid state 2
H NMR spin-lattice relaxation measurements on perdeuterated benzene in
the zeolites Na-X and Na-Y over the temperature range 155-350 K. The resulting NMR correlation times
exhibit Arrhenius temperature dependence, with the following Arrhenius parameters: 0
Y
) (9.6 ( 0.4) ×
10-13 s, Ea
Y
) 23.5 ( 0.9 kJ mol-1, 0
X
) (8.8 ( 2.3) × 10-12 s, and Ea
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