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Synthesis and theoretical study of vanadium oxotrichloride complex of hexachlorotriphosphazene and ab initio investigations of some simple cyclic triphosphazenes     
Yazarlar
Prof. Dr. Fatma KANDEMİRLİ Prof. Dr. Fatma KANDEMİRLİ
Kastamonu Üniversitesi, Türkiye
Özet
N3P3Cl6·VOCl3 results from the reaction between vanadium oxotrichloride and hexachlorotriphosphazene in dichloroethane. Vanadium oxotrichloride coordination with nitrogen atom in the phosphonitrile ring was detected from the IR spectrum of the product. Quantum-chemistry calculations for (NPX2)3 (X = H, F, Cl, NH2) were carried out as well. A comparative study of some basic characteristics of the simple cyclotriphosphazenes' electronic structures was carried out. Quantum-chemistry calculations also were done for the complex of hexachlorophosphazene with vanadium oxotrichloride. It is shown that the nitrogen atom in phosphazenes plays an essential role for donor-acceptor interactions and is the most preferable atom for binding with a vanadium atom.
Anahtar Kelimeler
Quantum-chemical calculation | Triphosphazenes | Vanadium oxotrichloride
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
Dergi ISSN 1042-6507
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 11-2003
Cilt No 178
Sayı 11
Sayfalar 2331 / 2342
Doi Numarası 10.1080/714040946