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Title: Spin-symmetry conversion in methyl rotors induced by tunnel resonance at low temperature

Field-cycling NMR in the solid state at low temperature (4.2 K) has been employed to measure the tunneling spectra of methyl (CH{sub 3}) rotors in phenylacetone and toluene. The phenomenon of tunnel resonance reveals anomalies in {sup 1}H magnetization from which the following tunnel frequencies have been determined: phenylacetone, ν{sub t} = 6.58 ± 0.08 MHz; toluene, ν{sub t(1)} = 6.45 ± 0.06 GHz and ν{sub t(2)} = 7.07 ± 0.06 GHz. The tunnel frequencies in the two samples differ by three orders of magnitude, meaning different experimental approaches are required. In phenylacetone the magnetization anomalies are observed when the tunnel frequency matches one or two times the {sup 1}H Larmor frequency. In toluene, doping with free radicals enables magnetization anomalies to be observed when the tunnel frequency is equal to the electron spin Larmor frequency. Cross-polarization processes between the tunneling and Zeeman systems are proposed and form the basis of a thermodynamic model to simulate the tunnel resonance spectra. These invoke space-spin interactions to drive the changes in nuclear spin-symmetry. The tunnel resonance lineshapes are explained, showing good quantitative agreement between experiment and simulations.
Authors:
; ;  [1] ;  [2] ;  [3]
  1. School of Physics and Astronomy, University of Nottingham, Nottingham NG7 2RD (United Kingdom)
  2. Physics Department, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia)
  3. Laboratoire de Spectroscopie des Materiaux, Université de Mostaganem, B.P. 227, Mostaganem 2700 (Algeria)
Publication Date:
OSTI Identifier:
22255080
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 8; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; INTERACTIONS; MAGNETIZATION; NUCLEAR MAGNETIC RESONANCE; POLARIZATION; SIMULATION; SPECTRA; THERMODYNAMIC MODEL; TOLUENE; TUNNEL EFFECT; ZEEMAN EFFECT