M. Koch et al., LOW-TEMPERATURE C-13 NMR INVESTIGATIONS ON CARBON-MONOXIDE HYDROGEN-BONDED TO BRONSTED ACID SITES IN H-Y ZEOLITES, Chemical physics letters, 228(6), 1994, pp. 501-505
C-13 NMR investigations were carried out at 4.5 K in order to analyze
the lineshape of the solid-state spectrum of (CO)-C-13 adsorbed on Bro
nsted acid sites in H-Y zeolites. The spectrum was found to be dominat
ed by the chemical shift anisotropy and by the heteronuclear magnetic
dipolar interaction between the C-13 nucleus of the (CO)-C-13 molecule
and the proton of the Bronsted acid site where the molecule is adsorb
ed. Therefore, an analysis of the lineshape of the low-temperature C-1
3 NMR spectrum allows a precise determination of the hydrogen bond dis
tance r(H-C) between these nuclei. A value of r(H-C)=0.21 +/- 0.01 nm
has been obtained by this method which is in excellent agreement with
recent quantum chemical calculations.