TY - GEN
T1 - MODIFIED PPP APPROACH TO POLYDIACETYLENE EXCITATIONS.
AU - Soos, Z. G.
AU - Kuwajima, S.
AU - Mazumdar, S.
PY - 1986
Y1 - 1986
N2 - A purely pi -electron description via the Pariser-Parr-Pople (PPP) model is introduced, and standard molecular parameters are adopted in application to polydiacetylene (PDA). Transfer integrals are presented to describe the single, double, and triple bonds of the pi network. The result of PPP, theory appears to be that Coulomb coupling of pi and pi prime electrons in PDA results in two low-energy absorptions with comparable intensity, rather than a single absorption as in polyacetylene.
AB - A purely pi -electron description via the Pariser-Parr-Pople (PPP) model is introduced, and standard molecular parameters are adopted in application to polydiacetylene (PDA). Transfer integrals are presented to describe the single, double, and triple bonds of the pi network. The result of PPP, theory appears to be that Coulomb coupling of pi and pi prime electrons in PDA results in two low-energy absorptions with comparable intensity, rather than a single absorption as in polyacetylene.
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M3 - Conference contribution
AN - SCOPUS:0022603103
SN - 0841209618
T3 - Polymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Material
SP - 497
EP - 501
BT - Polymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Material
PB - ACS
ER -