TY - JOUR
T1 - Influence of donor and acceptor substituents on the electronic characteristics of poly(paraphenylene vinylene) and poly(paraphenylene)
AU - Brédas, J. L.
AU - Heeger, A. J.
N1 - Funding Information:
The Mons-Santa Barbara collaboration is supported by a Joint International Grant of the US National Science Foundation and the Belgian National Fund for Scientific Research.W e thank Professor D. Awschalom (Department of Physics, UCSB) for his generous supply of computer time. The authors acknowledge stimulating discussions with Professor R.H. Friend, Dr. I. Parker and Dr. F. Klavetter. The work on conjugatedp olymers in Mons is partly supported by the Belgian Prime Minister Office of Science Policy through the “Pole d’attraction Interu-niversitaire en Chimie Supramoltculairee t Catalyse”.
PY - 1994/1/28
Y1 - 1994/1/28
N2 - We investigate theoretically the influence of substitution by various donor and acceptor groups onto the phenyl rings and/or the vinylene units of poly(paraphenylene vinylene) and poly(paraphenylene). Using quantum chemical methods, we calculate the magnitudes of the forbidden energy gaps, the ionization potentials, and the electron affinities for several derivatives of each of the two parent conjugated polymers. These electronic parameters are essential in determining the potential of such polymers for use as active layers in light-emitting diodes.
AB - We investigate theoretically the influence of substitution by various donor and acceptor groups onto the phenyl rings and/or the vinylene units of poly(paraphenylene vinylene) and poly(paraphenylene). Using quantum chemical methods, we calculate the magnitudes of the forbidden energy gaps, the ionization potentials, and the electron affinities for several derivatives of each of the two parent conjugated polymers. These electronic parameters are essential in determining the potential of such polymers for use as active layers in light-emitting diodes.
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U2 - 10.1016/0009-2614(93)E1421-C
DO - 10.1016/0009-2614(93)E1421-C
M3 - Article
AN - SCOPUS:0001085954
VL - 217
SP - 507
EP - 512
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 5-6
ER -