Polymeric Charge-transfer Complexes

Peredereeva, S. I.; Orlov, I. G.; Cherkashin, Μ. I.

doi:10.1070/rc1975v044n04abeh002268

Cited by 21 publications

(5 citation statements)

References 6 publications

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“…Several reports on CTC formation in CP : organic acceptor blends appeared in the 1970s 17b,25. However, until the early 2000s there was no reliable evidence for intermolecular CT interactions with a π‐CP chain in the electronic ground state, although many donoracceptor blends and bilayers between donor CPs and various acceptors, including small molecules (e.g., TCNQ and its homologous derivatives2b), polymer acceptors26, fullerenes,2a and nanotubes,27 were studied.…”

Section: Ctcs In Cp Donoracceptor Blendsmentioning

confidence: 99%

“…The thermodynamics of CTC formation in small‐molecule donoracceptor blends in the solution phase was well studied in the past 51. The macromolecular nature of the donor (acceptor) for some blends can result in more stable CTCs than for their low‐molecular‐weight counterparts, while for other polymeracceptor (donor) blends CTCs can be weaker 17b. For CP CTCs, because of π‐electron delocalization along the polymer chains, additional complexity arises, since CTC formation can perturb the whole conjugated segment, including many monomer repeat units.…”

Section: Ground Statementioning

confidence: 99%

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Charge‐Transfer Complexes of Conjugated Polymers

Sosorev

Paraschuk

2014

Israel Journal of Chemistry

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Donoracceptor blends of conjugated polymers (CPs) are workhorse materials for the state‐of‐the‐art polymer solar cells. Although earlier it was suggested that charge transfer in these blends occurred only in the excited electronic state, a body of evidence for ground‐state charge transfer and the corresponding charge‐transfer complex (CTC) formation has been reported in the last decade. In some CP:acceptor blends, the CTC is pronounced and can be noticed visually as a colour change, while in more common CP:fullerene blends it is very weak. However, in both, the CTC governs charge separation, which is the key photophysical process for organic solar cells, through so‐called charge‐transfer states. Moreover, the pronounced CTC can substantially modify the blend properties: extend the blend absorption in the red and infrared regions, change the morphology to facilitate donoracceptor intermixing, stimulate polymer self‐organization and ordering, and increase the polymer photooxidation stability. Addition of one of the strongest organic acceptors, 2,3,5,6‐tetrafluoro‐7,7,8,8‐tetracyanoquinodimethane (F4‐TCNQ), to the CP:fullerene blend is an example of organic doping (a CTC with full charge transfer), improving the blend structural and electronic properties and finally the solar cell performance. In this review, we summarize the current knowledge on CTCs in various CP:acceptor blends and the impact of CTC on the blend properties and the device performance.

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Section: Ctcs In Cp Donoracceptor Blendsmentioning

confidence: 99%

Section: Ground Statementioning

confidence: 99%

Charge‐Transfer Complexes of Conjugated Polymers

Sosorev

Paraschuk

2014

Israel Journal of Chemistry

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“…Unfortunately, computations are still difficult, but progress is being made, IS and a 266 with 1c/J) = (11) 12) ... ,J)IK)' L) IM) ... , "» (6) (4) Let us assume for simplicity that all the coefficients are real. Unfortunately, computations are still difficult, but progress is being made, IS and a 266 with 1c/J) = (11) 12) ... ,J)IK)' L) IM) ... , "» (6) (4) Let us assume for simplicity that all the coefficients are real.…”

Section: Introouci'ionmentioning

confidence: 99%

“…Use of the general MC-SCF Hamiltonian over non orthogonal orbitals":" is a tempting alternative to the supermolecule approach because it combines the advantages of the original scheme of Mulliken with those of a one-electron description. Unfortunately, computations are still difficult, but progress is being made, IS and a 266 with 1c/J) = (11) 12) ... ,J)IK)' L) IM) ... , "» (6) (4) Let us assume for simplicity that all the coefficients are real. Then an element of the density matrix associated with two orbitals 1JL) and Iv) is…”

Section: Introouci'ionmentioning

confidence: 99%

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Studies on Charge‐Transfer Theory Mulliken Population and Measure of Charge Transfer

Otto

Ladik

1980

Israel Journal of Chemistry

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The gross occupations of molecular orbitals in charge‐transfer complexes are defined in terms of a multiconfigurational scheme over nonorthogonal orbitals. Their physical significance is illustrated by reference to Mulliken's gross atomic populations, of which they are the molecular analogs: under well specified approximations the corresponding net atomic charges provide a uniquely defined set of point charges representing a molecule in an electric field. Alternatives and limitations to the use of gross occupations as measures of charge transfer (and to methods for obtaining them) are illustrated by ab initio computations of Li+‐H2O, HCN‐CO, formamide‐glyoxal, TCNE‐Benzene: in particular, geometrical criteria for partitioning the total charge density are briefly presented.

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Charge‐Transfer Complex of p‐Aminodiphenylamine with Maleic Anhydride: Spectroscopic, Electrochemical, and Physical Properties

et al. 2016

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A new charge-transfer complex and the amide formed by the interaction between the electron donor of the p-aminodiphenylamine and the electron acceptor of maleic anhydride are investigated by spectroscopic methods. The amidation reaction is caused by proton and charge transfer between the maleic anhydride and p-aminodiphenylamine molecules. The Benesi-Hildebrand equation is used to determine the formation constant, the molar extinction coefficient and the standard Gibbs free energy of the complex by using UV/Vis spectroscopy. To reveal the electronic and spectroscopic properties of these molecules, theoretical computations are performed on the structures of maleic anhydride, p-aminodiphenylamine and the conformers of their charge-transfer complex. The charge-transfer complex and amidation reaction mechanism are also confirmed by IR and NMR spectroscopy and HRMS. The nature of the maleic anhydride-p-aminodiphenylamine complex is characterized by cyclic voltammetry, thermogravimetric analysis, XRD and SEM. Solid microribbons of this complex show higher thermal stability than p-aminodiphenylamine.

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Polymeric Charge-transfer Complexes

Cited by 21 publications

References 6 publications

Charge‐Transfer Complexes of Conjugated Polymers

Charge‐Transfer Complexes of Conjugated Polymers

Studies on Charge‐Transfer Theory Mulliken Population and Measure of Charge Transfer

Charge‐Transfer Complex of p‐Aminodiphenylamine with Maleic Anhydride: Spectroscopic, Electrochemical, and Physical Properties

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