@article {1399,
	title = {Determination of the location of naphthalene in the zeolite ZSM-5 host framework by solid-state H-1/Si-29 CP MAS NMR spectroscopy},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {84},
	number = {2},
	year = {2006},
	note = {ISI Document Delivery No.: 040YKTimes Cited: 3Cited Reference Count: 23},
	month = {Feb},
	pages = {345-355},
	type = {Article},
	abstract = {The location of naphthalene in the zeolite ZSM-5 has been determined from solid-state H-1/Si-29 cross-polarization (CP) magic-angle-spinning (MAS) NMR data alone. With the peaks in the Si-29 spectrum assigned to the inequivalent Si sites in the zeolite from a two-dimensional INADEQUATE spectrum, the rates of cross polarization between the H-1 nuclei of the guest sorbate molecules and the Si-29 nuclei of the zeolite framework were used to determine the location of the naphthalene molecules by exploiting the proportional relationship between cross-polarization rate constants and H-1/Si-29 dipolar coupling second moments. The NMR structure determination was carried out on three different selectively deuterium-labeled naphthalene molecules (naphthalene-d(0), alpha-naphthalene-d(4), and beta-naphthalene-d(4)). The average of the molecule locations in agreement with all three sets of NMR data was found to be in excellent agreement with an existing single crystal XRD structure of the naphthalene-ZSM-5 complex.},
	keywords = {COMPLEXES, cross polarization, CROSS-POLARIZATION, host-guest complexes, RAY-POWDER DIFFRACTION, SOLID-STATE NMR, SORBATE, SPECTRA, structure determination, zeolites},
	isbn = {0008-4042},
	url = {<Go to ISI>://000237417600033},
	author = {Fyfe, C. A. and Brouwer, D. H.}
}
@article {375,
	title = {Hyperfine and host-guest interactions of the Mu-cyclohexadienyl radical in NaY zeolite},
	journal = {Journal of Physical Chemistry B},
	volume = {106},
	number = {25},
	year = {2002},
	note = {ISI Document Delivery No.: 565EUTimes Cited: 8Cited Reference Count: 88},
	month = {Jun},
	pages = {6395-6407},
	type = {Article},
	abstract = {The adsorption and dynamical behavior of the muonated cyclohexadienyl radical (C(6)H(6)Mu) in NaY zeolite, formed by muonium (Mu) addition on adsorbed benzene. was investigated by the muon spin resonance (muSR) technique, primarily at loadings of 2-3 C6H6 molecules per supercage of NaY. The dynamics of this radical are expected to be the same as its isotopic analogue, C6H7, for which there are no similar data available. Both TF-muSR and ALC-muSR spectra were recorded, with the most detailed information provided by the positions and line widths of the avoided level crossing resonances. In concert with H-2 NMR, neutron diffraction and molecular dynamics studies of the parent benzene molecule, as well as current theoretical calculations, the dominant adsorption site for the C(6)H(6)Mu radical is believed to be the S-II Na cation, within a supercage, which gives rise to three observed ALC lines, corresponding to two different orientations for the muon (proton) of the CHMu methylene group: pointing toward (endo) and away (exo) from the Na cation. The cation interaction gives rise to unprecedentedly large (approximate to20\%) shifts in hyperfine coupling constants, indicative of a strong bond formed with the T electrons of the C(6)H(6)Mu radical. An additional but weaker resonance line is also seen, which is interpreted as being due to adsorption at the window sites between supercages. The ALC lines associated with the CH,,Mu radical bound to both the Na cation and window sites are all broad, approximate to1 kG, change little with temperature and exhibit mainly static line shapes over the whole temperature range studied, from 3 to 322 K. This indicates a much stronger host-guest interaction for C(6)H(6)Mu, particularly with the Na cation. than is known for benzene, to the extent that this site acts as an effective trap for the free radical, over the critical muSR time scale of 50 ns.},
	keywords = {AROMATIC-MOLECULES, ELASTIC NEUTRON-SCATTERING, GAS-PHASE, H-2 NMR, MAGNETIC-RESONANCE, MOLECULAR-DYNAMICS, RAY-POWDER DIFFRACTION, REORIENTATIONAL DYNAMICS, SODIUM-Y ZEOLITE, SPIN RELAXATION},
	isbn = {1520-6106},
	url = {<Go to ISI>://000176356700007},
	author = {Fleming, Donald G. and Shelley, M. Y. and Arseneau, D. J. and Senba, M. and Pan, J. J. and Roduner, E.}
}
