The azide anion as a building block in crystal engineering from a charge density point of view
The azide anion as a building block in crystal engineering from a charge density point of view
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DOI：
10.1039/c0ce00859a
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发表时间：
2011-04-01
期刊：
影响因子：
3.1
通讯作者：
Lyssenko, Konstantin A.
中科院分区：
文献类型：
--
作者：
Bushmarinov, Ivan S.;Nabiev, Orudzh G.;Lyssenko, Konstantin A.
使用实验和计算的电子密度分布的拓扑分析研究了叠氮化物阴离子氢键的几何偏好。电子定位函数（ELF）和QTAIM分析的比较揭示了叠氮化物阴离子孤电子对明显单向性背后的原因。通过 CSD 分析证明了氢和涉及叠氮化物的配位键之间的相似性。
The geometrical preferences of hydrogen bonds with azide anion are studied using topological analysis of experimental and calculated electron density distribution. The comparison of electron localization function (ELF) and QTAIM analysis shows the reasons behind the apparent unidirectionality of azide anion's lone pairs. The similarity between hydrogen and coordinated bonds involving azide species is demonstrated via the analysis of the CSD.