scholarly journals One-Dimensional Bis(dipyrrinato)zinc(II)-Linked Porphyrinatozinc(II) Polymer: Synthesis, Exfoliation Into Single Wires, and Photofunctionality

2021 ◽  
Author(s):  
Suzaliza Mustafar ◽  
Yasuyo Ogino ◽  
Hiroshi Nishihara
Keyword(s):  
Energy Transfer ◽  
Molecular Wires ◽  
Polymer Synthesis ◽  
Metal Complexation ◽  
Complexation Reaction ◽  
Electronic Interaction ◽  
Transfer System ◽  
One Dimensional

Abstract One-dimensional bis(dipyrrinato)zinc(II)-linked porphyrinatozinc(II) polymer, 2 were synthesized by facile metal complexation reaction between 5,15-bis(3,5-dioctyloxyphenyl)-10,20-bis(dipyrrinato)porphyrinatozinc(II),1 and zinc(II) acetate. The bulky substituents on the porphyrin units allows 2 to be exfoliated into single molecular wires with a 2.8 nm height and 1.4 Om length. 2 exhibited promising photofunctionality derived from electronic interaction between bis(dipyrrinato)zinc and porphyrinatozinc(II) moieties, which can be engaged in energy transfer system such as photonic molecular wires.

Adiabatic large polarons in anisotropic molecular crystals

2011 ◽  
Vol 35 (1) ◽  
pp. 15-27
Author(s):  
Zoran Ivić ◽  
Željko Pržulj
Keyword(s):  
Energy Transfer ◽  
Effective Mass ◽  
Molecular Crystals ◽  
Single Chain ◽  
Proper Understanding ◽  
One Dimensional ◽  
Interchain Coupling ◽  
Large Polaron ◽  
The One

Adiabatic large polarons in anisotropic molecular crystals We study the large polaron whose motion is confined to a single chain in a system composed of the collection of parallel molecular chains embedded in threedimensional lattice. It is found that the interchain coupling has a significant impact on the large polaron characteristics. In particular, its radius is quite larger while its effective mass is considerably lighter than that estimated within the one-dimensional models. We believe that our findings should be taken into account for the proper understanding of the possible role of large polarons in the charge and energy transfer in quasi-one-dimensional substances.

scholarly journals Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Lokamani ◽  
Jeffrey Kelling ◽  
Robin Ohmann ◽  
Jörg Meyer ◽  
Tim Kühne ◽  
...  
Keyword(s):  
High Throughput ◽  
Energy Function ◽  
Organic Molecules ◽  
Molecular Wires ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Intermolecular Interaction Energy ◽  
One Dimensional ◽  
Coverage Density ◽  
Clustering Approach

AbstractDue to the low corrugation of the Au(111) surface, 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB) molecules can form quasi interlocked lateral patterns, which are observed in scanning tunneling microscopy experiments at low temperatures. We demonstrate a multi-dimensional clustering approach to quantify the anisotropic pair-wise interaction of molecules and explain these patterns. We perform high-throughput calculations to evaluate an energy function, which incorporates the adsorption energy of single PEEB molecules on the metal surface and the intermolecular interaction energy of a pair of PEEB molecules. The analysis of the energy function reveals, that, depending on coverage density, specific types of pattern are preferred which can potentially be exploited to form one-dimensional molecular wires on Au(111).

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