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

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.

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Studies of molecular interactions in the vapour phase by ultraviolet photoelectron spectroscopy: electronic structures of donor–acceptor complexes including hydrogen bonded dimers and van der Waals molecules

Chemical Society Reviews ◽

10.1039/cs9912000477 ◽

1991 ◽

Vol 20 (4) ◽

pp. 477-502 ◽

Cited By ~ 14

Author(s):

C. N. R. Rao ◽

T. Pradeep

Keyword(s):

Molecular Interactions ◽

Photoelectron Spectroscopy ◽

Electronic Structures ◽

Van Der Waals ◽

Vapour Phase ◽

Ultraviolet Photoelectron Spectroscopy ◽

Van Der Waals Molecules ◽

Donor Acceptor ◽

Hydrogen Bonded

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Ab initio study of the electronic structures and conduction properties of some novel low band-gap donor–acceptor polymers

Solid State Communications ◽

10.1016/j.ssc.2003.10.013 ◽

2004 ◽

Vol 129 (5) ◽

pp. 335-340 ◽

Cited By ~ 6

Author(s):

A.K. Bakhshi ◽

Geetika Gandhi

Keyword(s):

Ab Initio ◽

Band Gap ◽

Electronic Structures ◽

Ab Initio Study ◽

Low Band Gap ◽

Donor Acceptor ◽

Conduction Properties

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

Angewandte Chemie ◽

10.1002/ange.201914233 ◽

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

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

ACS Omega ◽

10.1021/acsomega.9b00172 ◽

2019 ◽

Vol 4 (3) ◽

pp. 5863-5869 ◽

Cited By ~ 10

Author(s):

Yang Yu ◽

Linyi Bian ◽

Yang Zhang ◽

Zheng Liu ◽

Yuetian Li ◽

...

Keyword(s):

Electronic Structures ◽

Donor Acceptor ◽

Synaptic Learning

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Theoretical Designing of Novel Donor Acceptor Type Copolymer Comprising of Thiophene

Asian Journal of Chemistry ◽

10.14233/ajchem.2021.23433 ◽

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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