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氮氧化磷钡(Ba[PN]O)中的三角平面[PN]阴离子

Trigonal Planar [PN] Anion in the Nitridophosphate Oxide Ba[PN]O.

作者信息

Pritzl Reinhard M, Witthaut Kristian, Dialer Marwin, Buda Amalina T, Milman Victor, Bayarjargal Lkhamsuren, Winkler Björn, Schnick Wolfgang

机构信息

Department of Chemistry, University of Munich (LMU), Butenandtstraße 5-13, 81377, Munich, Germany.

Dassault Systèmes BIOVIA, CB4 0WN, Cambridge, United Kingdom.

出版信息

Angew Chem Int Ed Engl. 2024 Aug 5;63(32):e202405849. doi: 10.1002/anie.202405849. Epub 2024 Jul 4.

Abstract

Nitridophosphates, with their primary structural motif of isolated or condensed PN tetrahedra, meet many requirements for high performance materials. Their properties are associated with their structural diversity, which is mainly limited by this specific building block. Herein, we present the alkaline earth metal nitridophosphate oxide Ba[PN]O featuring a trigonal planar [PN] anion. Ba[PN]O was obtained using a hot isostatic press by medium-pressure high-temperature synthesis (MP/HT) at 200 MPa and 880 °C. The crystal structure was solved and refined from single-crystal X-ray diffraction data in space group R c (no. 167) and confirmed by SEM-EDX, magic angle spinning (MAS) NMR, vibrational spectroscopy (Raman, IR) and low-cost crystallographic calculations (LCC). MP/HT synthesis reveals great potential by extending the structural chemistry of P to include trigonal planar [PN] motifs.

摘要

氮磷化物以孤立或缩合的PN四面体为主要结构单元,满足高性能材料的诸多要求。它们的性质与其结构多样性相关,而这种结构多样性主要受限于这一特定结构单元。在此,我们展示了具有三角平面[PN]阴离子的碱土金属氮磷氧化物Ba[PN]O。通过在200 MPa和880 °C下采用中压高温合成(MP/HT)的热等静压法获得了Ba[PN]O。晶体结构由空间群R c(编号167)中的单晶X射线衍射数据解析并精修,通过扫描电子显微镜-能谱仪(SEM-EDX)、魔角旋转(MAS)核磁共振、振动光谱(拉曼光谱、红外光谱)和低成本晶体学计算(LCC)得到证实。MP/HT合成通过扩展P的结构化学以纳入三角平面[PN]基序展现出巨大潜力。

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