Hexakis 4 phormylphenoxy cyclotriphosphazene X ray and DFT Calculated Structures
Yazarlar (4)
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Prof. Dr. Başak KOŞAR KIRCA Sinop Üniversitesi, Türkiye
Mustafa Odabaşoǧlu
Pamukkale Üniversitesi, Türkiye
Pamukkale Üniversitesi, Türkiye
Orhan Büyükgüngör
Ondokuz Mayis University Faculty of Science And Arts, Türkiye
Ondokuz Mayis University Faculty of Science And Arts, Türkiye
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | Crystallography Reports (Q3) | ||
| Dergi ISSN | 1063-7745 Dergi Bilgileri (2010) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2010 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 30-11-2010 |
| Cilt / Sayı / Sayfa | 55 / 7 / 1203–1206 | DOI | 10.1134/S1063774510070175 |
| Makale Linki | https://link.springer.com/10.1134/S1063774510070175 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| The crystal structure of hexakis(4-phormylphenoxy)cyclotriphosphazene is determined by using X-ray diffraction and then the molecular structure is investigated with density functional theory (DFT). X-Ray study shows that the title compound has C-H…π interaction with phosphazene ring. The molecules in the unit cell are packed with Van der Waals and dipole-dipole interactions and the molecules are packed in zigzag shaped. Optimized molecular geometry is calculated with DFT at B3LYP/6-311G(d,p) level. The results from both experimental and theoretical calculations are compared in this study. |
| Anahtar Kelimeler |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 7 |
| Scopus | 7 |
| Google Scholar | 10 |