OkumuŞ Aytuğ, Elmas Gamze, Asmafİlİz Nuran, Bİlge KoÇak Selen, KiliÇ Zeynel
Department of Chemistry, Faculty of Science, Ankara University, Ankara Turkey.
Turk J Chem. 2020 Jun 1;44(3):559-573. doi: 10.3906/kim-1911-43. eCollection 2020.
A great wealth of structural information about phosphazenes can be gleaned from the combined spectroscopic and crystallographic data. When data from P NMR spectroscopy and X-ray crystallography are put together like pieces in a puzzle, a number of correlations can be obtained for phosphazene derivatives. A systematic study concerning the correlations among the structural parameters (e.g., P NMR data, endocyclic/exocyclic NPN bond angles and bond lengths) revealed some characteristics of mono- and di- cyclophosphazene derivatives bearing 4-fluoro/nitrophenylmethyl pendant arm/arms. These correlations include the relationship between the δ P shifts, the values of electron density transfer parameters Δ(P-N), and the endocyclic and exocyclic NPN bond angles of the cyclophosphazenes. The structural parameters were compared with each other for 19 compounds of 5 different architectural types of cyclophosphazenes with 5- to 7-membered -rings.
从光谱学和晶体学的综合数据中可以收集到大量关于磷腈的结构信息。当将来自磷核磁共振光谱和X射线晶体学的数据像拼图碎片一样组合在一起时，就可以获得一些磷腈衍生物的相关性。一项关于结构参数（如磷核磁共振数据、内环/外环NPN键角和键长）之间相关性的系统研究揭示了带有4-氟/硝基苯甲基侧链的单环和二环磷腈衍生物的一些特征。这些相关性包括磷腈的δP位移、电子密度转移参数Δ(P-N)的值以及内环和外环NPN键角之间的关系。对5种不同结构类型的5至7元环磷腈的19种化合物的结构参数进行了相互比较。
