Spin-lattice relaxation times of 13C satellites in proton nuclear magnetic resonance spectra and their use in determining molecular rotational diffusion constants

1974 ◽  
Vol 70 ◽  
pp. 148 ◽  
Author(s):  
Frank Heatley
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Rotational Diffusion ◽  
Relaxation Times ◽  
Lattice Relaxation ◽  
Spin Lattice Relaxation ◽  
Proton Nuclear Magnetic Resonance ◽  
Spin Lattice ◽  
Diffusion Constants ◽  
Nuclear Magnetic Resonance Spectra ◽  
13C Satellites

A nuclear magnetic resonance investigation of n -pentane, n -hexane and cyclo pentane

1954 ◽  
Vol 222 (1151) ◽  
pp. 526-541 ◽  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Molecular Motion ◽  
Relaxation Times ◽  
Lattice Relaxation ◽  
Spin Lattice Relaxation ◽  
Kcal Mole ◽  
Second Moment ◽  
Spin Lattice ◽  
Second Moments

The nuclear magnetic resonance spectra and spin-lattice relaxation times have been measured for the protons in n -pentane (C 5 H 12 ), n -hexane (C 6 H 14 ) and cyclo pentane (C 5 H 10 ) all in the solid state. The temperature range covered was from 70° K to the melting-points of 143·4° K for n -pentane, 177·8° K for n -hexane and 179·4° K for cyclo pentane. In the case of n -pentane and n -hexane the second moments of the absorption lines were found to be smaller than the computed rigid lattice values over the. whole temperature range. Possible molecular motions which might cause this reduction are discussed. It is suggested that the most probable type of motion is reorientation of the methyl groups at the ends of each molecule about the adjacent C—C bonds. An analysis of the spin-lattice relaxation times shows that this reorientation process is governed by an activation energy of 2·7 kcal/mole for n -pentane and 2·9 kcal/mole for n -hexane, values which support the mechanism postulated. At the lowest temperature the absorption lines had not reached their full widths, even though the reorientation frequencies at these temperatures were considerably less than the line-widths. The experimental second moment for cyclo pentane below about 120° K indicates that the lattice is effectively rigid in this temperature region. The uncertainties in both the experimental and theoretical second moments do not allow a distinction to be drawn between the plane and puckered molecular models. At the temperature of the first transition (122·4° K) the line-width second moment and relaxation time all show a sudden decrease. The low value of second moment at the higher temperatures indicates that considerable molecular motion is occurring, the molecules rotating with spherical symmetry. The change in crystal structure at the temperature of the second transition (138·1° K) is thought to be a direct result of this spherical symmetry. As the temperature increases, the results indicate that more molecular motion must be occurring, and it is thought that the rotating molecules are diffusing through the lattice.

Nuclear Magnetic Resonance Studies of Molecular Motion in Natural Rubber

1963 ◽  
Vol 36 (2) ◽  
pp. 318-324
Author(s):  
W. P. Slichter ◽  
D. D. Davis
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Natural Rubber ◽  
Molecular Motion ◽  
Relaxation Times ◽  
Lattice Relaxation ◽  
Spin Lattice Relaxation ◽  
Nmr Studies ◽  
Spin Lattice ◽  
Nuclear Magnetic

Abstract Nuclear magnetic resonance measurements have been made on natural rubber to examine how frequency, temperature, and crystallinity affect the nuclear relaxation. Moecular motions were studied by observing NMR linewidths and spin-lattice relaxation times at temperatures between −100° and 100° C, and at radio frequencies between 2 and 60 Mc. The effect of crystallinity was seen in measurements on stark rubber. The relation between frequency and temperature in the spin-lattice relaxation process is examined in terms of the Arrhenius equation and the WLF expression. The importance of using frequency as a variable in NMR studies of molecular motion is stressed.

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