Molecular structure of tetrapropylammonium-2,3-dichloro-5,6-dicyano-p-benzoquinone compared toM + TCNQ? (M +=Rb+, K+, Cs+, or organic cations; TCNQ?=tetracyanoquinomethane) charge-transfer complexes

1988 ◽  
Vol 18 (5) ◽  
pp. 545-554 ◽  
Author(s):  
Armando Marzotto ◽  
Dore Augusto Clemente ◽  
Luigi Pasimeni
Keyword(s):  
Molecular Structure ◽  
Charge Transfer ◽  
Organic Cations ◽  
Charge Transfer Complexes

scholarly journals Light-induced dilation in nanosheets of charge-transfer complexes

2018 ◽  
Vol 115 (15) ◽  
pp. 3776-3781 ◽  
Author(s):  
Zhuolei Zhang ◽  
Richard C. Remsing ◽  
Himanshu Chakraborty ◽  
Wenxiu Gao ◽  
Guoliang Yuan ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Charge Transfer ◽  
Self Assembly ◽  
Response Times ◽  
Charge Transfer Complexes ◽  
Wide Range ◽  
Molecular Charge ◽  
Molecular Components ◽  
Lattice Dilation ◽  
Electronic Technologies

We report the observation of a sizable photostrictive effect of 5.7% with fast, submillisecond response times, arising from a light-induced lattice dilation of a molecular nanosheet, composed of the molecular charge-transfer compound dibenzotetrathiafulvalene (DBTTF) and C60. An interfacial self-assembly approach is introduced for the thickness-controlled growth of the thin films. From photoabsorption measurements, molecular simulations, and electronic structure calculations, we suggest that photostriction within these films arises from a transformation in the molecular structure of constituent molecules upon photoinduced charge transfer, as well as the accommodation of free charge carriers within the material. Additionally, we find that the photostrictive properties of the nanosheets are thickness-dependent, a phenomenon that we suggest arises from surface-induced conformational disorder in the molecular components of the film. Moreover, because of the molecular structure in the films, which results largely from interactions between the constituent π-systems and the sulfur atoms of DBTTF, the optoelectronic properties are found to be anisotropic. This work enables the fabrication of 2D molecular charge-transfer nanosheets with tunable thicknesses and properties, suitable for a wide range of applications in flexible electronic technologies.

Dielectric Polarisation of Some Heterocyclic Compounds and Role of π-Electrons in Solution

1977 ◽  
Vol 32 (9) ◽  
pp. 1074-1076
Author(s):  
A. N. Srivastava
Keyword(s):  
Molecular Structure ◽  
Charge Transfer ◽  
Carbon Tetrachloride ◽  
Heterocyclic Compounds ◽  
Charge Transfer Complexes ◽  
Electron Systems ◽  
Polar Solvents ◽  
Dielectric Polarisation

AbstractThe dielectric moments at 35 °C of quinoline, pyridine and isoquinoline dissolved in four non-polar solvents viz. benzene, carbon tetrachloride, cyclohexane and dioxane are found to increase in this sequence in accordance with the molecular structure of these solutes. The surprisingly high moments of quinoline and pyridine in carbon tetrachloride indicate the formation of charge transfer complexes in­ volving the π-electron systems of the solutes.

Evaluation of thermodynamic parameters on higly correlated chemical systems: a spectrophotometric study of the 1:1 and 1:2 equilibria between I2 and R4todit = 4,5,6,7-tetrathiocino[1,2-b:3,4-b′]diimidazolyl-1,3,8,10-tetraalkyl-2,9-dithione; (R = Bu, Me (new data); Et, Ph (reinvestigation)). Crystal and molecular structure of the charge-transfer complex Bu4 todit•2I2

1995 ◽  
Vol 73 (3) ◽  
pp. 380-388 ◽  
Author(s):  
Francesco Bigoli ◽  
Maria Angela Pellinghelli
Keyword(s):  
Molecular Structure ◽  
Charge Transfer ◽  
Standard Enthalpy ◽  
Charge Transfer Complexes ◽  
X Ray ◽  
Entropy Changes ◽  
Different Temperatures ◽  
Enthalpy And Entropy Changes ◽  
Enthalpy And Entropy ◽  
Absorbance Data

The reactions between Bu4todit and I2 in CHCl3 solution have been investigated by spectrophotometry at different temperatures. Evidence for the stepwise formation of the 1:1 and 1:2 charge-transfer complexes has been obtained by computer analysis of the experimental data. The stability constants of both complexes and the corresponding standard enthalpy and entropy changes have been calculated. The 1:2 complex has been characterized in the solid state by an X-ray structural study: the crystals of Bu4todit 2I2 are monoclinic, space group C2/c, a = 16.352(6), b = 9.376(5), c = 23.470(7) Å, β = 99.78(2)°, Z = 4,R = 0.0579. The molecular structure shows that the two thionic sulfur atoms coordinate two diiodine molecules, the bond distances and angles being similar to those observed previously in Et4todit•2I2. On the contrary, the solution studies disagree with the previous investigations on Et4todit and Ph4todit, where the absorbance data were explained assuming the formation of the 1:1 complex only. A new calculation procedure for the least-squares minimization of spectrophotometric data, based on Powell's direct search method, has been developed. This procedure allows for the refinement of the standard enthalpy and entropy changes from a set of absorbance data at different temperatures. Convergence has been attained for the reaction of diiodine with Bu4todit and Me4todit (new data) and also for Et4todit and Ph4todit (old data). Keywords: equilibrium constants, charge-transfer complexes, Fourier transform – Raman, X-ray, I2-thioamides.

The synthesis, spectroscopic characterization, DFT/TD-DFT/PCM calculations of the molecular structure and NBO of the novel charge-transfer complexes of pyrazine Schiff base derivatives with aromatic nitro compounds

2021 ◽  
Author(s):  
Yousry M. Issa ◽  
Samir A. Abdel-Latif ◽  
Aida L. El-Ansary ◽  
Hekmat B. Hassib
Keyword(s):  
Molecular Structure ◽  
Charge Transfer ◽  
Spectroscopic Characterization ◽  
Nitro Compounds ◽  
Charge Transfer Complexes ◽  
The Novel ◽  
Aromatic Nitro Compounds ◽  
Schiff Base Derivatives ◽  
Td Dft ◽  
Aromatic Nitro

Novel charge-transfer complexes of pyrazine Schiff bases derived from 2-aminopyrazine with benzaldehyde and N-4-dimethylaminobenzaldehyde with some aromatic nitro compounds have been synthesized and characterizes experimentally and confirmed theoretically.

scholarly journals New Low-Dimensional Hybrid Perovskitoids Based on Lead Bromide with Organic Cations from Charge-Transfer Complexes

Crystals ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 1424
Author(s):  
Igor A. Nikovskiy ◽  
Kseniya L. Isakovskaya ◽  
Yulia V. Nelyubina
Keyword(s):  
Charge Transfer ◽  
Perovskite Solar Cells ◽  
Optoelectronic Device ◽  
Organic Cations ◽  
Charge Transfer Complexes ◽  
Crystalline Materials ◽  
Hybrid Perovskite ◽  
Lead Bromide ◽  
Low Dimensionality ◽  
Low Dimensional

We have obtained a series of low-dimensional hybrid perovskitoids (often referred to as perovskites) based on lead bromide. As organic cations, the derivatives of polyaromatic and conjugated molecules, such as anthracene, pyrene and (E)-stilbene, were chosen to form charge-transfer complexes with various organic acceptors for use as highly tunable components of hybrid perovskite solar cells. X-ray diffraction analysis showed these crystalline materials to be new 1D- and pseudo-layered 0D-perovskitoids with lead bromide octahedra featuring different sharing modes, such as in unusual mini-rods of four face- and edge-shared octahedra. Thanks to the low dimensionality, they can be of use in another type of optoelectronic device, photodetectors.

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