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Crystal structure, photophysical properties, and DFT calculations of a boron difluoride curcumin complex

  • Hui Guo , Ziyong Li EMAIL logo and Xiao-Gang Yang
Published/Copyright: February 22, 2023
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Zeitschrift für Naturforschung B
From the journal Zeitschrift für Naturforschung B Volume 78 Issue 5

Abstract

The crystal structure of a curcumin-BF2 complex has been successfully refined from single-crystal X-ray diffraction data of crystals with one molecule of co-crystallized dichloromethane. The complex has a nearly coplanar structure. The molecules form a mesh structure by intermolecular multiple hydrogen bonds, as well as weak hydrogen bonds with CH2Cl2 molecules. An investigation of the photo-physical properties has indicated that the curcumin-BF2 complex possesses a wide absorption band and an intense red emission in the solid state due to a strong electron-withdrawing effect of the BF2 groups. DFT calculations of a single molecule verify the relationships between the photo-physical properties and its intrinsic electronic features, but neglect the role of hydrogen bonding.

Keywords: BF2-curcumin complex; crystal structure; curcumin; photo-physical properties
Corresponding author: Ziyong Li, College of Chemistry and Chemical Engineering, College of Food and Drug, Luoyang Normal University, Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang, Henan Province, 471934, P. R. China, E-mail:

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: The author(s) disclose and acknowledge financial support from the National Natural Science Foundation of China (No. 21971100), Project for Science & Technology Innovation Talents in Universities of Henan Province (No. 21HASTIT006). Scientific Research Projects of Henan Province (Grants 212102210638 and 2019GGJS198).

  3. Conflict of interest statement: The author(s) declared no potential conflicts of interest with respect to the research, authorship, and/or publication of this article.

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Received: 2022-12-06
Accepted: 2023-01-31
Published Online: 2023-02-22
Published in Print: 2023-05-25

© 2023 Walter de Gruyter GmbH, Berlin/Boston

Articles in the same Issue

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https://doi.org/10.1515/znb-2022-0147
Keywords for this article
BF2-curcumin complex; crystal structure; curcumin; photo-physical properties

Articles in the same Issue

  1. Frontmatter
  2. In this issue
  3. Research Articles
  4. Photoredox-catalyzed three-component difluorobenzylation of quinoxalin-2(1H)-ones with unactivated vinylarenes and BrCF2CO2Et/HCF2CO2H
  5. Catalyst-free direct synthesis of indeno[1,2-b]indol-5(4bH)-yl benzimidamides
  6. Crystal structure of three chloridocuprate(I, II) complexes with methylene blue (MB) counterions
  7. Crystal structure, photophysical properties, and DFT calculations of a boron difluoride curcumin complex
  8. The double cluster compound [Nb6Cl14(MeCN)4][Nb6Cl14(pyz)4]·6MeCN (Me: methyl, pyz: pyrazine) with a layered structure resulting from weak intermolecular interactions
  9. Expanding transition metal borate chemistry to include main group elements: high-pressure synthesis and structural relation of β-MgB4O7
  10. Eu2Ru3Si5 and Eu2Ir3Ga5 – first europium compounds with U2Mn3Si5-type structure but different europium valence
  11. Mössbauer-spectroscopic characterization of the stannides Sr2Pd2Sn and Eu2Pd2Sn
  12. Orthoamide und Iminiumsalze, CVIII. Umsetzungen von Orthoamiden der Alkincarbonsäuren mit CH/NH-aciden, tautomeriefähigen Verbindungen
  13. Book Review
  14. Thomas J. Meade (Guest Editor), Astrid Sigel, Helmut Sigel, Eva Freisinger, Roland K. O. Sigel (Series Editors): Molecular Bio-Sensors and the Role of Metal Ions
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