An X ray and DFT Computational Study on 1 Naphthalene 2 yl 2 1H pyrazol 1 yl ethanone O butyl Oxime
Yazarlar (1)
Prof. Dr. Zarife Sibel ŞAHİN Sinop Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | CHINESE JOURNAL OF STRUCTURAL CHEMISTRY (Q4) | ||
| Dergi ISSN | 0254-5861 Dergi Bilgileri (2012) | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2012 |
| Cilt / Sayı / Sayfa | 31 / 2 / 262–270 | DOI | – |
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| The title compound, 1-(naphthalene-2-yl)-2-(1H-pyrazol-1-yl)ethanone O-butyl oxime, I, was synthesized. The crystal and molecular structures of I were determined by IR, H-1-NMR, mass spectrum, elemental analysis and X-ray single crystal diffraction. Molecular geometry from X-ray experiment of I in the ground state was compared using the Density Fun... |
| Anahtar Kelimeler |
| crystal structure | DFT | molecular electrostatic potential | frontier molecular orbitals |
