First Structural Characterization of Binary As~(III) and Sb~(III) Azides

Ralf Haiges; Ashwani Vij; Jerry A.Boatz; Stefan Schneider; Thorsten Schroer; Michael Gerken; Karl O.Christe

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First Structural Characterization of Binary As~(III) and Sb~(III) Azides

机译：二元As〜（III）和Sb〜（III）叠氮化物的第一结构表征

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The highly explosive molecules As(N_3)_3 and Sb(N_3)_3 were obtained in pure form by the reactions of the corresponding fluorides with (CH_3)_3SiN_3 in SO_2 and purification by sublimation.The crystal structures and ~(14)N NMR,infrared,and Raman spectra were determined,and the results compared to ab initio second-order perturbation theory calculations.Whereas Sb(N_3)_3 possesses a propeller-shaped,pyramidal structural with perfect C_3 symmetry,the As(N_3)_3 molecule is significantly distorted from C_3 symmetry due to crystal packing effects.

机译：通过在SO_2中使相应的氟化物与（CH_3）_3SiN_3反应并通过升华纯化，以纯净形式获得高爆炸性分子As（N_3）_3和Sb（N_3）_3。晶体结构和〜（14）N NMR，确定了红外光谱和拉曼光谱，并将结果与从头算二阶微扰理论计算进行了比较。Sb（N_3）_3具有螺旋形的金字塔结构，具有完美的C_3对称性，As（N_3）_3分子由于晶体堆积效应而偏离C_3对称性。

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《Chemistry: A European journal》 |2004年第2期|共10页
作者
Ralf Haiges; Ashwani Vij; Jerry A.Boatz; Stefan Schneider; Thorsten Schroer; Michael Gerken; Karl O.Christe;
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正文语种 eng
中图分类化学;
关键词
ab initio calculations; antimony; arsenic; azides; structure elucidation; vibrational spectroscopy;

机译：从头算;锑;砷;叠氮化物;结构解析;振动光谱;

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1. First Structural Characterization of Binary As~(III) and Sb~(III) Azides [J] . Ralf Haiges, Ashwani Vij, Jerry A.Boatz, Chemistry: A European journal . 2004,第2期

机译：二元As〜（III）和Sb〜（III）叠氮化物的第一结构表征
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机译：锑，Sb _{2 O _{3 （亚硒酸钠）和α-Sb_{2 O _{4 <的二元氧化物的新型溶胶-凝胶前体/ sub>：某些酮肟酸酯修饰的锑（III）醇盐的合成和表征}}}}
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7. Cover Picture: First Structural Characterization of Binary AsIII and SbIII Azides (Chem. Eur. J. 2/2004) [O] . Ralf Haiges, Ashwani Vij, Jerry A. Boatz, 2004

机译：封面图片：二元asiii和sbiii叠氮化物的第一次结构表征（Chem.eur。欧元.J.2 / 2004）
8. First Structural Characterization of Binary As(III) and Sb(III) Azides [R] . Haige, R. , Vij, A. , Boatz, J. , 2003

机译：二元as（III）和sb（III）叠氮化物的第一结构表征

First Structural Characterization of Binary As~(III) and Sb~(III) Azides

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