Conjugated Conducting PolymersHelmut G. Kiess, Dionys Baeriswyl |
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Page 240
Helmut G. Kiess, Dionys Baeriswyl. 5.2.3 Chemical Shift Tensor Chemical shift tensor σ is a measure of the local anisotropic fields as seen by the nuclei . Although the quantum mechanical calculation of the chemical shift tensor is ...
Helmut G. Kiess, Dionys Baeriswyl. 5.2.3 Chemical Shift Tensor Chemical shift tensor σ is a measure of the local anisotropic fields as seen by the nuclei . Although the quantum mechanical calculation of the chemical shift tensor is ...
Page 243
... chemical shift tensor , another set of lines with [ 5.83 ] 11-242 ± 7 ppm , σ2 - 174 ± 16 ppm and 033 = - 132 ± 13 ppm . Comparison of this tensor with that of model compounds allows one to draw some conclusions concerning the chemical ...
... chemical shift tensor , another set of lines with [ 5.83 ] 11-242 ± 7 ppm , σ2 - 174 ± 16 ppm and 033 = - 132 ± 13 ppm . Comparison of this tensor with that of model compounds allows one to draw some conclusions concerning the chemical ...
Page 244
... chemical shift tensor for polyparaphenylene and its oligomers for proton - bonded ( A type ) and proton - nonbonded ( B type ) 13C spins ; the tensor components for benzene are also shown for direct comparison [ 5.87 ] 033-011 [ ppm ] ...
... chemical shift tensor for polyparaphenylene and its oligomers for proton - bonded ( A type ) and proton - nonbonded ( B type ) 13C spins ; the tensor components for benzene are also shown for direct comparison [ 5.87 ] 033-011 [ ppm ] ...
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A.J. Heeger atoms Baeriswyl band gap behaviour bipolarons bond alternation bond lengths calculations chain charge carriers charged solitons Chem chemical shift cis-(CH conducting polymers conjugated polymers correlation Coulomb interaction coupling Cryst D.K. Campbell defects dielectric function diffusion dimerization discussed dopant dopant concentration dopant molecules doping doping levels e-e interactions effects electron correlation electron spin electron-electron interactions electron-phonon ENDOR energy excitations exciton experimental frequency function Hamiltonian Hartree-Fock hopping Hubbard model Hückel hyperfine interactions inter-chain Kivelson lattice Lett linewidth magnetic metallic molecular neutral solitons nonlinear nonlinear optical nuclear observed obtained one-dimensional optical absorption optical gap parameters peak Peierls Peierls-Hubbard model phonon Phys polarons polyacetylene polyenes polypyrrole polythiophene properties proton quantum quasi-particles Raman resonance samples Sect shown in Fig spectra spectrum spin density structure symmetry Synth tensor theory trans trans-(CH trans-polyacetylene transition valence values Vardeny