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Experimental, DFT Calculation, Biological Activity, Anion Sensing Application Studies and Crystal Structure of (E)-4-[(pyridin-3-ylimino)methyl]benzene-1,3-diol

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Abstract

Crystallographic and spectroscopic studies of (E)-4-[(pyridin-3-ylimino)methyl]benzene-1,3-diol have been performed. Optimized molecular structure, conformational analysis, theoretical vibrational band assignments, nonlinear optical effects, UV–Vis, properties have also been investigated by using density functional theory with the functional B3LYP using the 6-311++G(d,p) basis set. The antimicrobial activities of the compound were investigated for its minimum inhibitory concentration. The colorimetric response of the Schiff base receptors was investigated before and after the addition of an equivalent amount of each anion to evaluate anion recognition properties.

Graphical Abstract

A new Schiff base was prepared and characterized. Experimental and theoretical studies on a new Schiff base have been reported. The tautomeric stability of the compound was investigated by experimental and theoretical (DFT). The nonlinear optical (NLO) effects of the compound was predicted using DFT. The antimicrobial activity and anion-sensor properties of the compound were examined.

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Acknowledgements

The authors are grateful to the Scientific and Technical Research Council of Turkey (TÜBİTAK) for the financial support of this work, Grant Number TÜBİTAK 115F253.

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Authors and Affiliations

  1. Department of Physics, Faculty of Science, Ankara University, 06100, Beşevler, Ankara, Turkey

    Hüseyin Ünver & Devrim Yolal

  2. Vocational School of Health Services, Ankara University, 06290, Keçioren, Ankara, Turkey

    Bahadir Boyacioglu

  3. Ankara Nuclear Research and Training Center, Turkish Atomic Energy Authority, 06100, Beşevler, Ankara, Turkey

    Celal Tuğrul Zeyrek

  4. Department of Chemistry, Faculty of Arts and Sciences, Çanakkale Onsekiz Mart University, 17100, Çanakkale, Turkey

    Mustafa Yıldız

  5. Health Services Vocational School, Çanakkale Onsekiz Mart University, 17100, Çanakkale, Turkey

    Nuray Yıldırım

  6. Department of Biology, Faculty of Arts and Sciences, Çanakkale Onsekiz Mart University, 17100, Çanakkale, Turkey

    Neslihan Demir

  7. Ataturk Faculty of Education, Near East University, Nicosia, Mersin 10, Turkey

    Aşkın Kiraz

  8. Department of Physics Engineering, Faculty of Engineering, Ankara University, 06100, Beşevler, Ankara, Turkey

    Ayhan Elmali

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  1. Hüseyin Ünver
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  2. Bahadir Boyacioglu
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Corresponding author

Correspondence to Mustafa Yıldız.

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Ünver, H., Boyacioglu, B., Zeyrek, C.T. et al. Experimental, DFT Calculation, Biological Activity, Anion Sensing Application Studies and Crystal Structure of (E)-4-[(pyridin-3-ylimino)methyl]benzene-1,3-diol. J Chem Crystallogr 48, 32–46 (2018). https://doi.org/10.1007/s10870-018-0710-x

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