Crystal structure, photophysical properties, and DFT calculations of a boron difluoride curcumin complex
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Hui Guo
und
Xiao-Gang Yang
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.
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Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
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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).
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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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© 2023 Walter de Gruyter GmbH, Berlin/Boston
Artikel in diesem Heft
- Frontmatter
- In this issue
- Research Articles
- Photoredox-catalyzed three-component difluorobenzylation of quinoxalin-2(1H)-ones with unactivated vinylarenes and BrCF2CO2Et/HCF2CO2H
- Catalyst-free direct synthesis of indeno[1,2-b]indol-5(4bH)-yl benzimidamides
- Crystal structure of three chloridocuprate(I, II) complexes with methylene blue (MB) counterions
- Crystal structure, photophysical properties, and DFT calculations of a boron difluoride curcumin complex
- The double cluster compound [Nb6Cl14(MeCN)4][Nb6Cl14(pyz)4]·6MeCN (Me: methyl, pyz: pyrazine) with a layered structure resulting from weak intermolecular interactions
- Expanding transition metal borate chemistry to include main group elements: high-pressure synthesis and structural relation of β-MgB4O7
- Eu2Ru3Si5 and Eu2Ir3Ga5 – first europium compounds with U2Mn3Si5-type structure but different europium valence
- Mössbauer-spectroscopic characterization of the stannides Sr2Pd2Sn and Eu2Pd2Sn
- Orthoamide und Iminiumsalze, CVIII. Umsetzungen von Orthoamiden der Alkincarbonsäuren mit CH/NH-aciden, tautomeriefähigen Verbindungen
- Book Review
- 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
Artikel in diesem Heft
- Frontmatter
- In this issue
- Research Articles
- Photoredox-catalyzed three-component difluorobenzylation of quinoxalin-2(1H)-ones with unactivated vinylarenes and BrCF2CO2Et/HCF2CO2H
- Catalyst-free direct synthesis of indeno[1,2-b]indol-5(4bH)-yl benzimidamides
- Crystal structure of three chloridocuprate(I, II) complexes with methylene blue (MB) counterions
- Crystal structure, photophysical properties, and DFT calculations of a boron difluoride curcumin complex
- The double cluster compound [Nb6Cl14(MeCN)4][Nb6Cl14(pyz)4]·6MeCN (Me: methyl, pyz: pyrazine) with a layered structure resulting from weak intermolecular interactions
- Expanding transition metal borate chemistry to include main group elements: high-pressure synthesis and structural relation of β-MgB4O7
- Eu2Ru3Si5 and Eu2Ir3Ga5 – first europium compounds with U2Mn3Si5-type structure but different europium valence
- Mössbauer-spectroscopic characterization of the stannides Sr2Pd2Sn and Eu2Pd2Sn
- Orthoamide und Iminiumsalze, CVIII. Umsetzungen von Orthoamiden der Alkincarbonsäuren mit CH/NH-aciden, tautomeriefähigen Verbindungen
- Book Review
- 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
