Electron-Nuclear Double-Resonance Determination of the <span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><mmultiscripts><mrow><mi mathvariant="normal">C</mi></mrow><mprescripts></mprescripts><mrow></mrow><mrow><mn>13</mn></mrow><mrow></mrow><mrow></mrow></mmultiscripts></mrow></math></span> and <span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><mmultiscripts><mrow><mi mathvariant="normal">H</mi></mrow><mprescripts></mprescripts><mrow></mrow><mrow><mn>1</mn></mrow><mrow></mrow><mrow></mrow></mmultiscripts></mrow></math></span> Hyperfine Tensors for Polyacetylene

H. Thomann; L. R. Dalton; Y. Tomkiewicz; N. S. Shiren; T. C. Clarke

doi:10.1103/PhysRevLett.50.533

Electron-Nuclear Double-Resonance Determination of the ${}^{13}C$ and ${}^{1}H$ Hyperfine Tensors for Polyacetylene

H. Thomann, L. R. Dalton, Y. Tomkiewicz, N. S. Shiren, and T. C. Clarke

Phys. Rev. Lett. 50, 533 – Published 14 February 1983

Abstract

Pristine 98% ${}^{13}C$ -enriched cis-polyacetylene has been investigated by electron-nuclear double-resonance spectroscopy at temperatures between 77 and 300 K. Spectra are characterized by two and only two ${}^{1}H$ and ${}^{13}C$ hyperfine tensors. The relative magnitudes and symmetry of the tensor elements established that the paramagnetic electron resides in a delocalized $π$ orbital. Experimental results indicate that the delocalized electron is constrained to a potential well of approximately 100 Å width.