Location and relative orientation of methanol adsorbate molecules in A, X, and Y zeolites from electron spin-echo studies. [Gamma radiation; hydroxymethyl radicals]

Journal Article · Wed Sep 23 04:00:00 EDT 1981 · J. Am. Chem. Soc.; (United States)

DOI:https://doi.org/10.1021/ja00409a019· OSTI ID:5934774

Narayana, M; Kevan, L

Hydroxymethyl radicals have been generated by ..gamma..-radiolysis at 77 K from specifically deuterated methanols, CD/sub 3/OH and CH/sub 3/OD, adsorbed on NaA, Ca/sub 4/Na/sub 4/A, NaX, KX, NaY, and KY zeolites. These radicals have been studied by electron spin-echo spectrometry and the deuterium modulation patterns analyzed. In A zeolites, the hydroxymethyl radical is located in the ..cap alpha..-cage above a hexagonal interior face, with the molecular radical's electric dipole oriented along the threefold axis of the hexagonal face. Since a majority of the cations are in or near the hexagonal faces this orientation is consistent with a cation charge-molecular dipole interaction controlling the adsorbate geometry. The radical interacts with three equivalent closest methanol molecules in the ..cap alpha..-cage, with their methyl groups 0.38 nm from the ..cap alpha..-carbon of the radical. The radical location and orientation in X and Y xeolites is similar, except that both square and hexagonal faces are involved and the free nearest interacting methanol molecules lie slightly further away.

• Research Organization: Univ. of Houston, TX
• OSTI ID: 5934774
• Journal Information: J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 103:19; ISSN JACSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
400201 -- Chemical & Physicochemical Properties
400301 -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
400600* -- Radiation Chemistry
ADSORPTION
ALCOHOLS
CHEMICAL RADIATION EFFECTS
CHEMICAL REACTIONS
CHEMISTRY
DATA
DECOMPOSITION
DEUTERIUM
DEUTERIUM COMPOUNDS
ELECTRON SPIN RESONANCE
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
HYDROXY COMPOUNDS
INFORMATION
INORGANIC ION EXCHANGERS
ION EXCHANGE MATERIALS
ISOTOPE EFFECTS
ISOTOPES
LIGHT NUCLEI
LOW TEMPERATURE
MAGNETIC RESONANCE
MATERIALS
METHANOL
MINERALS
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
RADIATION CHEMISTRY
RADIATION EFFECTS
RADICALS
RADIOLYSIS
RESONANCE
SORPTION
SORPTIVE PROPERTIES
SPECTROSCOPY
SPIN ECHO
STABLE ISOTOPES
STRUCTURAL CHEMICAL ANALYSIS
SURFACE PROPERTIES
THEORETICAL DATA
ZEOLITES