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

ÜNVER, HÜSEYİN; BOYACIOĞLU, BAHADIR; Zeyrek, Celal; Yolal, Devrim; YILDIZ, MUSTAFA; YILDIRIM, NURAY; DEMİR, NESLİHAN; Kiraz, Askin; ELMALI, Ayhan

doi:10.1007/s10870-018-0710-x

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

ÜNVER H., BOYACIOĞLU B., Zeyrek C. T., Yolal D., YILDIZ M., YILDIRIM N., ...Daha Fazla

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, cilt.48, ss.32-46, 2018 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 48
Basım Tarihi: 2018
Doi Numarası: 10.1007/s10870-018-0710-x
Dergi Adı: JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.32-46
Anahtar Kelimeler: Schiff base, Density functional theory, Tautomer, Antimicrobial activities, Anion sensors
Çanakkale Onsekiz Mart Üniversitesi Adresli: Evet

Özet

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.