A molecular tailoring approach – a new guide to quantify the energy of push–pull effects: a case study on (E)-3-(1H-pyrrol-2-yl)prop-2-enones-Reference-Cited by-同舟云学术

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A molecular tailoring approach – a new guide to quantify the energy of push–pull effects: a case study on (E)-3-(1H-pyrrol-2-yl)prop-2-enones

Published:2020 Issue:39 Volume:22 Page:22190-22194
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Afonin Andrei V.¹²³⁴^ORCID,Rusinska-Roszak Danuta⁵⁶⁷⁸^ORCID

Affiliation:

1. A. E. Favorsky Irkutsk Institute of Chemistry

2. Siberian Division of Russian Academy of Sciences

3. Irkutsk 664033

4. Russian Federation

5. Institute of Chemical Technology and Engineering

6. Poznan University of Technology

7. Poznan 60-965

8. Poland

Abstract

We report a new approach to quantify the push–pull effect in molecules with internal charge transfer.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP04432F

Reference45 articles.

1. Push–Pull Macrocycles: Donor–Acceptor Compounds with Paired Linearly Conjugated or Cross-Conjugated Pathways

2. Tuning the push–pull configuration for efficient second-order nonlinear optical properties in some chalcone derivatives

3. Self-Assembly of “Chalcone” Type Push-Pull Dye Molecules into Organic Single Crystalline Microribbons and Rigid Microrods for Vis/NIR Range Photonic Cavity Applications

4. Synthesis, structural characterization and computational study of a novel amino chalcone: a potential nonlinear optical material

5. Fundamental aspects of property tuning in push–pull molecules

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1. Molecular Tailoring Approach for the Direct Estimation of Individual Noncovalent Interaction Energies in Molecular Systems;The Journal of Physical Chemistry A;2024-07-22

2. The photodynamic approach to the molecular-level origin of metal-guided photochromism and ultrafast absorption spectroscopy;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-05

3. Revealing the Reasons for Degeneration of Resonance-Assisted Hydrogen Bond on the Aromatic Platform: Calculations of Ortho-, Meta-, Para-Disubstituted Benzenes, and (Z)-(E)-Olefins;Molecules;2023-01-05

4. Molecular tailoring approach as tool for revealing resonance‐assisted hydrogen bond: Case study of Z ‐pyrrolylenones with the NH⋯OС intramolecular hydrogen bond;Journal of Computational Chemistry;2022-07-19

5. Guide to tuning the chalcone molecular properties based on the push‐pull effect energy scale created via the molecular tailoring approach;Journal of Computational Chemistry;2022-02-17

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