Experimental and theoretical studies on tautomeric structures of a newly synthesized 2,2′(hydrazine-1,2-diylidenebis(propan-1-yl-1-ylidene))diphenol
Yazarlar (7)
Prof. Dr. Tuncay KARAKURT Kırşehir Ahi Evran Üniversitesi, Türkiye
Alaaddin Çukurovalı
Firat Üniversitesi, Türkiye
Firat Üniversitesi, Türkiye
Dr. Öğr. Üyesi Nuriye Tuna SUBAŞI Kırşehir Ahi Evran Üniversitesi, Türkiye
Abdurrahman Onaran Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Abdulilah Ece Biruni Üniversitesi, Türkiye
Sıtkı Eker Kırşehir Ahi Evran Üniversitesi, Türkiye
İbrahim Kani Anadolu Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Chemical Physics Letters | ||
| Dergi ISSN | 0009-2614 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2018 |
| Cilt / Sayı / Sayfa | 693 / 1 / 132–145 | DOI | 10.1016/j.cplett.2018.01.016 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0009261418300162 | ||
| Özet |
| In the present study, a single crystal of a Schiff base, 2,2′(hydrazine-1,2-diylidenebis(propan-1-yl-1-ylidene))diphenol, was synthesized. The structure of the synthesized crystal was confirmed by 1H and 13C NMR spectroscopic and X-ray diffraction analysis techniques. Experimental and theoretical studies were carried out on two tautomeric structures. It has been observed that the title compound studied can be in two different tautomeric forms, phenol-imine and keto-amine. Theoretical calculations have been performed to support experimental results. Accordingly, the geometric parameters of the compound were optimized by the density functional theory (DFT) method using the Gaussian 09 and Quantum Espresso (QE) packet program was used for periodic boundary conditions (PBC) studies. Furthermore, the compound was also tested for in vitro antifungal activity against Sclerotinia sclerotiorum, Alternaria … |
| Anahtar Kelimeler |
| Schiff base | tautomeric forms | AIM | Molecular docking | MM-GBSA |
Science Direct
Experimental and theoretical studies on tautomeric structures of a newly synthesized 2,2′(hydrazine-1,2-diylidenebis(propan-1-yl-1-ylidene))diphenol
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 19 |
| SCOPUS | 19 |
| Google Scholar | 26 |