Tuning the UV spectrum of PAHs by means of different N-doping types taking pyrene as paradigmatic example: categorization via valence bond theory and high-level computational approaches-Reference-Cited by-同舟云学术

Tuning the UV spectrum of PAHs by means of different N-doping types taking pyrene as paradigmatic example: categorization via valence bond theory and high-level computational approaches

Published:2020 Issue:38 Volume:22 Page:22003-22015
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Shao Xin¹²³⁴,Aquino Adelia J. A.¹²³⁴⁵^ORCID,Otyepka Michal⁶⁷⁸⁹^ORCID,Nachtigallová Dana⁶⁷⁸⁹¹⁰,Lischka Hans¹²³⁴¹¹^ORCID

Affiliation:

1. School of Pharmaceutical Science and Technology

2. Tianjin University

3. Tianjin 300072

4. P. R. China

5. Department of Mechanical Engineering

6. Regional Centre of Advanced Technologies and Materials

7. Palacký University

8. 78371 Olomouc

9. Czech Republic

10. Institute of Organic Chemistry and Biochemistry v.v.i.

11. Department of Chemistry and Biochemistry

Abstract

Nitrogen doping leads to biradicloid character and subsequent UV red shift.

Funder

Akademie Věd České Republiky

Grantová Agentura České Republiky

U.S. Department of Energy

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/D0CP02688C

Reference87 articles.

1. Spectroscopic studies of the optical properties of carbon dots: recent advances and future prospects

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5. The History of Nanoscience and Nanotechnology: From Chemical–Physical Applications to Nanomedicine

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