"Methyl and Tert-Butyl Reorientation and Distributions of Activation En" by Peter A. Beckmann, A. M. Cheung et al.
 

Document Type

Article

Version

Publisher's PDF

Publication Title

Journal of Chemical Physics

Volume

84

Publication Date

2-15-1986

Abstract

We have measured proton Zeeman relaxation rates R in the 2,4- and 2,5-isomers of di tert-butylhydroxybenzene (DTHB) in the solid state. R was measured as a function of temperature T at proton Larmor frequencies of (j)/21T = 8.50,22.5, and 53.0 MHz. The Tranges were from 78 K to just below the melting points of 2,4- and 2,5-DTHB, 385 and 323 K, respectively. The 2,5- DTHB R vs T and (j) can be interpreted qualitatively in terms of three Bloembergen-PurcellPound (BPP) spectral densities, one for each of the three types of rotors in the molecule. The quantitative agreement is poor but a good fit is obtained using either a Davidson-Cole (DC) or Frolich spectral density, still preserving the three rotor types. The implications of this are discussed. The BPP and DC spectral densities fail completely in interpreting R vs T and (j) for 2,4- DTHBwhereas good quantitative fits are obtained using a Frolich spectral density. The distributions of activation energies characterizing the three rotor types are so wide for the Frolich spectral density fit of the 2,4-DTHB data that the individual rotor types lose their identity.

DOI

10.1063/1.450403

Plum Print visual indicator of research metrics
PlumX Metrics
  • Citations
    • Citation Indexes: 15
  • Usage
    • Downloads: 225
    • Abstract Views: 21
  • Captures
    • Readers: 1
see details

Included in

Physics Commons

Share

COinS