Electronic structures of donor-acceptor polymers based on polythiophene, polyfuran and polypyrrole

1996 ◽  
Vol 6 (3) ◽  
pp. 239-248 ◽  
Author(s):  
A. K. Bakhshi ◽  
Yoichi Yamaguchi ◽  
Hiroki Ago ◽  
Tokio Yamabe
Keyword(s):  
Electronic Structures ◽  
Donor Acceptor

scholarly journals The Electronic Structures of Redox Behavours of Electron Donor-Acceptor Compounds

1993 ◽  
Vol 9 (03) ◽  
pp. 331-335
Author(s):  
Guo Chun-Xiao ◽  
◽  
Jiang Yue-Shun ◽  
Zhang Dong
Keyword(s):  
Electron Donor ◽  
Electronic Structures ◽  
Donor Acceptor

scholarly journals Water-Soluble Bismuth(III) Polynuclear Tyrosinehydroximate Metallamacrocyclic Complex: Structural Parallels to Lanthanide Metallacrowns

Molecules ◽  
2020 ◽  
Vol 25 (19) ◽  
pp. 4379
Author(s):  
Marina A. Katkova ◽  
Grigory Y. Zhigulin ◽  
Roman V. Rumyantcev ◽  
Galina S. Zabrodina ◽  
Vladimir R. Shayapov ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Structural Parameters ◽  
Molecular Structures ◽  
Water Soluble ◽  
Thermochromic Properties ◽  
Donor Acceptor ◽  
Coordination Ability ◽  
Synthetic Routes ◽  
Complex Structural

Recently there has been a great deal of interest and associated research into aspects of the coordination chemistry of lanthanides and bismuth—elements that show intriguing common features. This work focuses on the synthesis and characterization of a novel bismuth(III) polynuclear metallamacrocyclic complex derived from aminohydroxamic acid, in order to compare the coordination ability of Bi3+ with the similarly sized La3+ ions. A polynuclear tyrosinehydroximate Bi(OH)[15-MCCu(II)Tyrha-5](NO3)2 (1) was obtained according to the synthetic routes previously described for water-soluble Ln(III)-Cu(II) 15-MC-5 metallacrowns. Correlations between structural parameters of Bi(III) and Ln(III) complexes were analyzed. DFT calculations confirmed the similarity between molecular structures of the model bismuth(III) and lanthanum(III) tyrosinehydroximate 15-metallacrowns-5. Analysis of the electronic structures revealed, however, stronger donor-acceptor interactions between the central ion and the metallamacrocycle in the case of the lanthanum analogue. Thermochromic properties of 1 were studied.

scholarly journals A Dual Threat: Redox‐Activity and Electronic Structures of Well‐Defined Donor–Acceptor Fulleretic Covalent‐Organic Materials

2020 ◽  
Vol 132 (15) ◽  
pp. 6056-6062
Author(s):  
Gabrielle A. Leith ◽  
Allison M. Rice ◽  
Brandon J. Yarbrough ◽  
Anna A. Berseneva ◽  
Richard T. Ly ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Organic Materials ◽  
Redox Activity ◽  
Donor Acceptor

scholarly journals Synthesis of Donor–Acceptor Gridarenes with Tunable Electronic Structures for Synaptic Learning Memristor

ACS Omega ◽  
2019 ◽  
Vol 4 (3) ◽  
pp. 5863-5869 ◽  
Author(s):  
Yang Yu ◽  
Linyi Bian ◽  
Yang Zhang ◽  
Zheng Liu ◽  
Yuetian Li ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Donor Acceptor ◽  
Synaptic Learning

scholarly journals Theoretical Designing of Novel Donor Acceptor Type Copolymer Comprising of Thiophene

2021 ◽  
Vol 33 (12) ◽  
pp. 2929-2933
Author(s):  
Swati Agrawal ◽  
Geetika Bhalla ◽  
Usha Bansal
Keyword(s):  
Electronic Structures ◽  
Negative Eigenvalue ◽  
One Dimensional ◽  
Electrically Conducting ◽  
Negative Factor ◽  
Donor Acceptor ◽  
Band Alignments ◽  
Electrically Conducting Polymers ◽  
Block Sizes ◽  
Conduction Properties

Using ab initio band structure results of three novel donor acceptor polymers (A)x PCDT, (B)x PMCT and (C)x PFTh as the input, the electronic structures and conduction properties of their periodic and aperiodic copolymer (AmBnCk)x have been investigated. The method involves using negative factor counting method based on Dean’s negative eigenvalue theorem. In this article, the quasi-one-dimensional Type II staggered copolymers comprising of thiophene units on the basis of the band alignments of the constituent homopolymers were studied. The trends in their electronic structures and conduction properties as a function of (i) block sizes (m, n, k) and (ii) arrangement of the blocks (periodic or aperiodic) in the various copolymer chains are discussed. These trends are important guidelines to the experimentalists for designing novel electrically conducting polymers with tailor made conduction properties.

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