Color tuning of alternating conjugated polymers composed of pentaazaphenalene by modulating their unique electronic structures involving isolated-LUMOs

2016 ◽  
Vol 7 (22) ◽  
pp. 3674-3680 ◽  
Author(s):  
Hiroyuki Watanabe ◽  
Masataka Hirose ◽  
Kazuyoshi Tanaka ◽  
Kazuo Tanaka ◽  
Yoshiki Chujo
Keyword(s):  
Conjugated Polymers ◽  
Electronic Structures ◽  
Polymer Solutions ◽  
Color Tuning ◽  
Conjugated Systems

Pentaazaphenalene-containing polymers with unique conjugated systems were synthesized. Various colors can be observed from the polymer solutions.

Effect of conjugation pathway on electronic structures in p-π* conjugated polymers with fused borepin units

2021 ◽  
Author(s):  
Yohei Adachi ◽  
Fuka Arai ◽  
Mitsuru Sakabe ◽  
Joji Ohshita
Keyword(s):  
Conjugated Polymers ◽  
Electronic Structures ◽  
Orbital Interaction ◽  
Conjugated Materials

Among conjugated materials, the p-π* conjugated polymers have attracted much attention due to their unique electronic structures derived from the orbital interaction between the empty p-orbital on boron and the...

Synthesis and color tuning of boron diiminate conjugated polymers with aggregation-induced scintillation properties

RSC Advances ◽  
2015 ◽  
Vol 5 (117) ◽  
pp. 96653-96659 ◽  
Author(s):  
Kazuo Tanaka ◽  
Takayuki Yanagida ◽  
Amane Hirose ◽  
Honami Yamane ◽  
Ryousuke Yoshii ◽  
...  
Keyword(s):  
Chemical Modification ◽  
Conjugated Polymers ◽  
Color Tuning ◽  
Aggregation Induced Emission ◽  
Film Type

We report film-type scintillators based on conjugated polymers with aggregation-induced emission (AIE) properties and the modulation of their scintillation abilities by chemical modification.

EXCITONS ON A 1D PERIODIC CONJUGATED POLYMER CHAIN: TWO ELECTRONIC STRUCTURES OF POLYDIACETYLENE CHAINS

2001 ◽  
Vol 15 (28n30) ◽  
pp. 3593-3596 ◽  
Author(s):  
C. LAPERSONNE-MEYER
Keyword(s):  
Quantum Yield ◽  
Conjugated Polymers ◽  
Electronic Structures ◽  
Conjugated Polymer ◽  
Radiative Lifetime ◽  
Exciton State ◽  
Fluorescence Yield ◽  
Radiative Processes ◽  
Exciton Lifetime ◽  
Fluorescent Quantum Yield

Crystalline polydiacetylenes (PDA) provide a model system for conjugated polymers. Monomer crystals where the polymer content is very low give access to the electronic structure of a 1D straight periodic isolated chain. PDA are known to exist as crystals in two electronic structures, the so-called 'blue' and 'red' phases. In 3BCMU crystals, blue and red chains coexist, so that the electronic properties of both types of chains in the same environment can be compared. In both cases fluorescence originates from the 1 B u exciton state. The blue exciton lifetime is 140 fs, its fluorescence quantum yield is small (10-4) and the relaxation is dominated by non radiative processes via low lying A g states as in polyenes. On the contrary, for red chains the exciton state is highly fluorescent (quantum yield 0.30), its lifetime is 52 ps at 15 K, implying a short radiative lifetime <100 ps. Recent results on the temperature dependence of lifetime and fluorescence yield imply the presence of states, thermally accessible from the exciton state, but non radiant to the ground state. This is consistent with a non planar conformation of the chain.

COUPLED-CLUSTER EQUATION OF MOTION STUDY FOR THE ELECTRONIC AND OPTICAL PROPERTIES OF CONJUGATED SYSTEMS

2005 ◽  
Vol 04 (spec01) ◽  
pp. 603-622 ◽  
Author(s):  
ZHIGANG SHUAI ◽  
QINGXU LI ◽  
YUANGPING YI
Keyword(s):  
Optical Properties ◽  
Conjugated Polymers ◽  
Excited States ◽  
Equation Of Motion ◽  
Dynamic Responses ◽  
Coupled Cluster ◽  
Conjugated Systems ◽  
Density Matrix Renormalization ◽  
Motion Study ◽  
Exact Density

We have implemented the Coupled-Cluster Equation of Motion (CC-EOM) with single and double excitations coupled with semiempirical parameterizations, Pariser–Parr–Pople model and INDO Hamiltonians, to investigate the optical and nonlinear optical properties, electronic structures and the excited states properties for the conjugated polymers. The semiempirical parameters allow us to study the conjugated systems with extensive sizes. Firstly, by comparing with the quasi-exact Density Matrix Renormalization Group theory for the 1D conjugated chain, we find that the CC-EOM approach can give satisfactory results for both the ground state and the excited states energies. We demonstrate that our approach can be adopted to evaluate linear and nonlinear response. We find that both the real and imaginary parts of the third-order polarizability can be solved either for static and dynamic responses. Then we apply the CC-EOM approach to study the optical signatures for the polarons in conjugated polymers. We have established a solid relationship between the rigidity of a polymer and its optical signature of the polarons.

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