The triplet spin-density distribution along a polyene chain: an electron-spin-echo study of a deuterododecapentaenal

Author(s):
Kok, P.; Groenen, E.J.J. (0000-0001-7530-9211)
Published
1996
Publication type
Article / Letter to editor

Abstract

We report on the electron-spin-echo decay of triplet [2-H-2]-dodecapentaenal in stretched polyethylene films. Deuterium nuclear-spin-induced modulations have been observed and analyzed, and a value of 0.12 +/- 0.01 is found for the spin density on the carbon atom at position 2, The agreement of this value with that calculated by semiempirical molecular-orbital methods provides the basis for a discussion of the spin-density distribution along the conjugated carbon-carbon chain of polyenes in the lowest triplet state.

Date issued
1996-01-01
Language
English
Publisher
AMER CHEMICAL SOC
Is part of
Journal of the American Chemical Society (1996), Vol. 118, no. 33, p. 7790-7794
hdl
1887/3594212
doi
10.1021/ja9611856
URL
https://pubs.acs.org/doi/10.1021/ja9611856