Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and 15N NMR study

被引：23

作者：

Pourayoubi, Mehrdad ^{[1
]}

Toghraee, Maryam ^{[1
]}

Zhu, Jianfeng ^{[2
]}

Dusek, Michal ^{[3
]}

Bereciartua, Pablo J. ^{[3
]}

Eigner, Vaclav ^{[3
]}

机构：

[1] Ferdowsi Univ Mashhad, Dept Chem, Mashhad, Iran

[2] Univ Oulu, Dept Phys, Oulu 90014, Finland

[3] Acad Sci Czech Republ, Inst Phys, Vvi, Prague 18221 8, Czech Republic

来源：

CRYSTENGCOMM | 2014年 / 16卷 / 47期

关键词：

X-RAY CRYSTALLOGRAPHY; NUCLEAR-MAGNETIC-RESONANCE; AB-INITIO CALCULATIONS; N-ATOM GEOMETRY; CRYSTAL-STRUCTURE; COUPLING-CONSTANTS; SPECTROSCOPIC CHARACTERIZATION; ORGANOPHOSPHORUS COMPOUNDS; COORDINATION POLYMER; SOLID-STATE;

D O I：

10.1039/c4ce01793e

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We present the synthesis and characterization of seven new phosphoric triamides followed by analysis of hydrogen bond patterns of the new compounds as well as the phosphoric triamides found in the Cambridge Structural Database (CSD). The analysis of hydrogen bond patterns updates the previous work (Toghraee, Pourayoubi and Divjakovic in Polyhedron, 2011, 30, 1680) on phosphoric triamides with a C(O)NHP(O)[N](2) skeleton, and extends the analysis to other phosphoric triamides i.e. ones without a C=O attached to the N of N-P=O. For the new phosphoric triamides we also investigated their spectroscopic features (P-31, H-1, C-13, and N-15 NMR, mass spectroscopy, IR spectroscopy), measured the (1)J(N-15, P-31) coupling constants and discussed the effective parameters.

引用

页码：10870 / 10887

页数：18

共 85 条

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