scholarly journals (Perylene)3-(TCNQF1)2: Yet Another Member in the Series of Perylene–TCNQFx Polymorphic Charge Transfer Crystals

Crystals ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 177 ◽  
Author(s):  
Tommaso Salzillo ◽  
Raffaele G. Della Valle ◽  
Elisabetta Venuti ◽  
Aldo Brillante ◽  
Gabriele Kociok-Köhn ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Vapor Transport ◽  
The Other ◽  
Physical Vapor Transport ◽  
Infrared Analysis ◽  
Low Degree ◽  
Donor And Acceptor ◽  
Degree Of Charge Transfer ◽  
Acceptor Molecules

The 3:2 Charge Transfer (CT) co-crystal (Perylene)3(TCNQF1)2 is grown by the Physical Vapor Transport (PVT) method, and characterized structurally and spectroscopically. Infrared analysis of the charge sensitive modes reveals a low degree of charge transfer (less than 0.1) between donor and acceptor molecules. The crystal is isostructural to the other 3:2 CT crystals formed by Perylene with TCNQF2 and TCNQF4, whereas such stoichiometry and packing is not known for the CT crystals with non-fluorinated TCNQ. The analysis of the isostructural family of 3:2 Perylene–TCNQFx (x = 1,2,4) co-crystal put in evidence the role of weak F…HC bonding in stabilizing this type of structure

Charge-Transfer Crystal with Segregated Packing Structure Constructed with Hexaarylbenzene and Tetracyanoquinodimethane

CrystEngComm ◽  
2021 ◽  
Author(s):  
Rempei Ando ◽  
Mingoo Jin ◽  
Hajime Ito
Keyword(s):  
Charge Transfer ◽  
Solid State ◽  
Electron Donor ◽  
Packing Structure ◽  
Donor And Acceptor ◽  
Solid State Materials ◽  
Electron Donor And Acceptor ◽  
Acceptor Molecules

Charge-transfer (CT) crystals bearing segregated domains between the electron donor and acceptor molecules are a promising platform for developing new organic functional solid-state materials. However, there is limited diversity in...

scholarly journals Controlling through-space and through-bond intramolecular charge transfer in bridged D-D’-A TADF Emitters

2021 ◽  
Author(s):  
Hector Gerardo Miranda-Salinas ◽  
Andrew P Monkman ◽  
Chih-Hao Chang ◽  
Hao-Che Kao ◽  
Dian Luo ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Donor And Acceptor ◽  
Donor Acceptor ◽  
Acceptor Molecules

Donor-Donor’-Acceptor molecules where the Donor’ bridges the Donor and Acceptor have different possible interaction pathways for charge transfer. Here we study a series of Donor-Donor’-Acceptor molecules, having the same Acceptor...

Highly pure pentacene crystals grown by physical vapor transport: the critical role of the carrier gas

2021 ◽  
Author(s):  
Hye Soo Kim ◽  
Soyoung Kim ◽  
Jin Young Koo ◽  
Hee Cheul Choi
Keyword(s):  
Physical Properties ◽  
High Purity ◽  
Transport Process ◽  
Critical Role ◽  
Vapor Transport ◽  
Physical Vapor Transport ◽  
Carrier Gas ◽  
Efficient Approach ◽  
Carrier Gases

An efficient approach to obtaining high purity pentacene crystals via physical vapor transport process is reported, utilizing the physical properties of carrier gases.

scholarly journals Binary charge-transfer complexes using pyromellitic acid dianhydride featuring C—H...O hydrogen bonds

2018 ◽  
Vol 74 (12) ◽  
pp. 1772-1777 ◽  
Author(s):  
Tania N. Hill ◽  
Andreas Lemmerer
Keyword(s):  
Charge Transfer ◽  
Hydrogen Bonds ◽  
Complex I ◽  
Charge Transfer Complexes ◽  
Asymmetric Unit ◽  
Pyromellitic Acid ◽  
Complex Iv ◽  
Complex Ii ◽  
Donor And Acceptor ◽  
Acceptor Molecules

Four binary charge-transfer complexes were made using pyromellitic acid dianhydride (pmda), those being pmda–naphthalene (1/1), C10H2O6·C10H8, (I), pmda–fluoranthene (1/1), C10H2O6·C16H10, (II), pmda–9-methylanthracene (1/1), C10H2O6·C15H12, (III), and pmda–ethyl anthracene-9-carboxylate (1/2), C10H2O6·2C17H12O3, (IV). All charge-transfer complexes show alternating donor and acceptor stacks, which have weak C—H...O hydrogen bonds connecting the donor and acceptor molecules. In addition, complex (I) has Z′ = 1/2, complex (II) has a Z′ = 2 and complex (IV) has half molecule of pyromellitic acid dianhydride in the asymmetric unit.

Helical mesoscopic crystals based on an achiral charge-transfer complex with controllable untwisting/breaking

2021 ◽  
Vol 57 (78) ◽  
pp. 10031-10034
Author(s):  
Canglei Yang ◽  
Lixing Luo ◽  
Jinqiu Chen ◽  
Bo Yang ◽  
Wei Wang ◽  
...  
Keyword(s):  
Phase Transition ◽  
Charge Transfer ◽  
Polar Solvent ◽  
Charge Transfer Complex ◽  
Donor And Acceptor ◽  
Induce Phase ◽  
Induce Phase Transition ◽  
Acceptor Molecules

The donor and acceptor molecules self-assemble into a helical morphology under the effect of polar solvent. By controlling the temperature to induce phase transition, the co-crystal undergoes predictable crystal breaking or untwisting.

scholarly journals Biological Relevance of Charge Transfer Branching Pathways in Photolyases

2019 ◽  
Author(s):  
Daniel Holub ◽  
Tilman Lamparter ◽  
Marcus Elstner ◽  
Natacha Gillet
Keyword(s):  
Charge Transfer ◽  
Positive Charge ◽  
Computational Approach ◽  
The Other ◽  
Equal Probability ◽  
Class Iii ◽  
Protein Motion ◽  
Thermodynamic Stabilization ◽  
Protein Environment

In PhrA, a class III CPD photolyase, two branching tryptophan charge transfer pathways have been characterized in the mechanism of FAD photoreduction. To provide a molecular explanation of the charge transfer abilities of both pathways, we performed simulations where the protein motion and the positive charge are simultaneously propagated. Our computational approach reveals that one pathway drives a very fast charge transfer whereas the other pathway provides a very good thermodynamic stabilization of the positive charge. During the simulations, the positive charge firstly moves on the fast triad, allowing the stabilization of reduced FAD. After one nanosecond, we observe a nearly equal probability to find the charge at ending tryptophan of either pathway. Our results highlight the role of the protein environment, which manages the association of a kinetic and a thermodynamic pathways to trigger a fast and efficient FAD photoreduction.

Energy and charge transfer by donor–acceptor pairs confined in a metal–organic framework: a spectroscopic and computational investigation

2014 ◽  
Vol 2 (10) ◽  
pp. 3389-3398 ◽  
Author(s):  
Kirsty Leong ◽  
Michael E. Foster ◽  
Bryan M. Wong ◽  
Erik D. Spoerke ◽  
Dara Van Gough ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Energy Harvesting ◽  
Metal Organic Framework ◽  
Phase Segregation ◽  
Computational Investigation ◽  
Donor And Acceptor ◽  
Donor Acceptor ◽  
Metal Organic ◽  
Organic Framework ◽  
Acceptor Molecules

A metal–organic framework serves as a multifunctional host for donor and acceptor molecules, enabling energy harvesting and transfer without phase segregation.

Electrical and Optical Properties of Defects in N-Type 4h-Sic

1995 ◽  
Vol 410 ◽  
Author(s):  
A. O. Evwaraye ◽  
S. R. Smith ◽  
W. C. Mitchel
Keyword(s):  
Conduction Band ◽  
Ionization Energy ◽  
Vapor Transport ◽  
The Other ◽  
Physical Vapor Transport ◽  
Ir Absorption ◽  
Admittance Spectroscopy ◽  
Electrical And Optical Properties ◽  
Transport Technique ◽  
Absorption Measurements

ABSTRACTSeveral n-type 4H-SiC samples grown by the physical vapor transport technique were studied using both thermal and optical admittance spectroscopy. The ionization energy ED for nitrogen donors in 4H-SiC was determined to be 0.053 eV and 0.10 eV below the conduction band. This agrees reasonably well with the values of 0.052 eV and 0.092 eV determined by IR absorption measurements. It is believed that EC-0.053 eV is the ionization energy of the nitrogen atom occupying the hexagonal site (h). The 0.10 eV activation energy has been attributed to the nitrogen atoms occupying the cubic sites(k).The optical admittance studies reveal five conductance peaks. One of these corresponds to the band-to-band transitions from which the bandgap of 3.41 eV was determined at 40K. The other four conductance peaks correspond to transitions from defect levels to the conduction band. These defects are located at EC-1.73 eV, EC-1.18 eV, EC-0.87 eV, and EC-0.72 eV.

Elementorganische Verbindungen mit o-Phenylenresten, XXVIII [1] Charge-transfer-Komplexe von 2,3,7,8-Tetraalkoxy-chalkogenanthrenen mit 7,7,8,8-Tetracyan-2,3,5,6-tetrafluor-chinodimethan / Organometalloidal Compounds with o-Phenylene Substituents, Part XXVIII [1] Charge-Transfer Complexes of 2,3,7,8-Tetraalkoxy-chalcogenanthrenes wjth 7,7,8,8-Tetracyano-2,3,5,6-tetrafluoro-quinodimethane

1996 ◽  
Vol 51 (9) ◽  
pp. 1295-1300 ◽  
Author(s):  
Stephan Friederichs ◽  
Jens Kudnig ◽  
Günter Klar
Keyword(s):  
Charge Transfer ◽  
Crystal Structures ◽  
Pure State ◽  
Charge Transfer Complexes ◽  
Columnar Crystal ◽  
Donor And Acceptor ◽  
Mndo Calculations ◽  
Type Character ◽  
A Charge ◽  
Acceptor Molecules

2,3,7,8-Tetramethoxythianthrene and -selenanthrene, as well as -tetraethoxythianthrene give isostructural 1:1 charge-transfer complexes with 7,7,8,8-tetracyano-2,3,5,6-tetrafluoroquinodimethane. In the columnar crystal structures there are alternating donor and acceptor molecules. The chalcogenanthrene molecules which are folded at their E···E axes in the pure state, are planar in the complexes indicating a charge-transfer according to [donor]+ [acceptor]- . Consecutive molecules of the stacks are arranged in such a way that an optimum overlap of the HOMO of the donor and the LUMO of the acceptor, both of which are of π-type character according to MNDO calculations, is secured.

Sign in / Sign up

Export Citation Format

Share Document