Orbital Polarization-Dependent Fragment Twist-Induced Intramolecular Electric-Field-Driven Charge Transfer.

Wenjing Bo, Hao Sheng, Jingang Wang

Open access · goldAbstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it

0cells of the map it votes in

0citing papers in PubMed

0.1field-weighted citation impact, top 61% of its field

1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed, 1 citations in OpenAlex.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors at 1 institution in 1 country.

Wenjing BoLiaoning Provincial Key Laboratory of Novel Micro-Nano Functional Materials, College of Science, Liaoning Petrochemical University, Fushun 113001, China.

Hao ShengLiaoning Provincial Key Laboratory of Novel Micro-Nano Functional Materials, College of Science, Liaoning Petrochemical University, Fushun 113001, China.

Jingang WangLiaoning Provincial Key Laboratory of Novel Micro-Nano Functional Materials, College of Science, Liaoning Petrochemical University, Fushun 113001, China.ORCID 0000-0003-4221-2629

Liaoning Shihua University · CN

Funding

Natural Science Foundation of Liaoning Province 2022-MS-363the Basic Scientific Research Project of the Education Department of Liaoning Province LJKMZ20220735

6 · The paper itself

Abstract

Defects, such as twisting, in fused aromatic hydrocarbons disrupt the plane of the π orbital. The twisted structure induces an electric field in the system and affects the spectra. In this work, theoretical studies show that the intramolecular electric field within a distinctly twisted structure is larger than that of other molecules. In addition, the spectral study shows that the degree of charge transfer and the magnetic transition dipole in the electrostatic potential extremum region of the molecular electric field were significantly improved, which affected the optical absorption and chiral optical behavior of the molecule. The discovery of this theoretical regulation law will provide a solid foundation for the electric-field-induced regulation of optical properties and will promote the precise design and synthesis of optoelectronic molecules with inner electric fields.

Indexed as

ElectricityModels, TheoreticalStatic Electricitycharge transferelectron circular dichroismintramolecular electric fieldoptical absorption

Identifiers

PMID36838789

DOI10.3390/molecules28041801

PMCPMC9961529

OpenAlexW4320921901

What OpenQuestion holds

Textmetadata

LicenceCC BY

Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.