Tin(II) oxide carbodiimide and its relationship to SnO

被引：21

作者：

Dolabdjian, Konstantin ^{[1
]}

Goerne, Arno L. ^{[2
]}

Dronskowski, Richard ^{[2
]}

Stroebele, Markus ^{[1
]}

Meyer, Hans-Juergen ^{[1
]}

机构：

[1] Inst Anorgan Chem, Abt Festkorperchem & Theoret Anorgan Chem, Morgenstelle 18, D-72076 Tubingen, Germany

[2] Rhein Westfal TH Aachen, Inst Inorgan Chem, Chair Solid State & Quantum Chem, Landoltweg 1, D-52056 Aachen, Germany

来源：

DALTON TRANSACTIONS | 2018年 / 47卷 / 38期

关键词：

INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; RARE-EARTH CARBODIIMIDES; AUGMENTED-WAVE METHOD; PLANE-WAVE; CRYSTAL-STRUCTURES; TIN MONOXIDE; METAL-OXIDES; BASIS-SET; TRANSITION;

D O I：

10.1039/c8dt02747a

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The compound Sn2O(CN2) was obtained as a brick-red crystalline powder from a solid-state reaction of equimolar amounts of SnCl2, SnO and Li-2(CN2). Thermal analysis of the reaction indicates the formation of two intermediate compounds until Sn2O(CN2) is formed at 400 degrees C. The crystal structure of Sn2O(CN2) was determined in the space group Pccn (a = 13.3949(7) angstrom, b = 5.2954(3) angstrom, c = 5.5369(2) angstrom, Z = 4) from single-crystal X-ray diffraction data. The structure contains a Sn2+ ion with a 5s(2) lone pair, situated in a fourfold, mixed O-/N-coordination environment. The crystal structure of Sn2O(CN2) is analyzed and discussed in relation to that of SnO, namely by electronic-structure calculations and a COHP bonding analysis of Sn2O(CN2).

引用

页码：13378 / 13383

页数：6

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