Experimental and theoretical study of Pb center dot center dot center dot S and Pb center dot center dot center dot O sigma-hole interactions in the crystal structures of Pb(II) complexes

Velasquez Juan D.; Mahmoudi Ghodrat; Zangrando Ennio; Gurbanov Atash V; Zubkov Fedor I; Zorlu Yunus; Masoudiasl Ardavan; Echeverria Jorge

首页> 外文期刊>CrystEngComm >Experimental and theoretical study of Pb center dot center dot center dot S and Pb center dot center dot center dot O sigma-hole interactions in the crystal structures of Pb(II) complexes

【24h】

Experimental and theoretical study of Pb center dot center dot center dot S and Pb center dot center dot center dot O sigma-hole interactions in the crystal structures of Pb(II) complexes

机译：Pb中心点中心点中心点S和PB中心点中心点中心点O Sigma-Hop晶体结构中的实验与理论研究

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

We report here the synthesis of two new Pb(II) compounds in which the lead center is coordinated by organic ligands via S and O donor atoms. Remarkably, in both compounds the Pb coordination is hemidirectional, which facilitates the approach of extra donors to establish interactions at longer distances. Such interactions are of sigma-hole nature between the Pb and O/S atoms, acting as Lewis acid and bases, respectively. Interestingly, the Pb center dot center dot center dot S/O distances are closer to the sum of the covalent radii than to the van der Waals ones, which suggests a considerably strong interaction. We have performed a structural analysis of the crystal structures as well as a theoretical analysis based on DFT calculations to gain deeper insight into the origin and features of these sigma-hole interactions. Moreover, the nature of the Pb center dot center dot center dot S/O interactions have been further analysed by means of AIM, MEP and NBO calculations.

机译：我们在此报告两种新的PB（II）化合物的合成，其中通过S和O供体原子由有机配体协调。值得注意的是，在两种化合物中，PB协调是丝网，这有助于额外捐助者的方法，以确定更长的距离相互作用。这种相互作用分别是Pb和O / s原子之间的σ孔性质，分别作为路易斯酸和碱。有趣的是，PB中心点中心点中心点S / O距离更靠近共价半径的总和，而不是van der Waals，这表明相当强烈的相互作用。我们对晶体结构进行了结构分析，以及基于DFT计算的理论分析，以获得深入了解这些Sigma-Hop相互作用的起源和特征。此外，通过AIM，MEP和NBO计算，已经进一步分析了PB中心点中心点中心点S / O相互作用的性质。

著录项

来源
《CrystEngComm》 |2019年第40期|共8页
作者
Velasquez Juan D.; Mahmoudi Ghodrat; Zangrando Ennio; Gurbanov Atash V; Zubkov Fedor I; Zorlu Yunus; Masoudiasl Ardavan; Echeverria Jorge;
展开▼
作者单位

Univ Barcelona Dept Quim Inorgan &

Organ Marti i Franques 1-11 E-08028 Barcelona Spain;

Univ Maragheh Fac Sci Dept Chem POB 55181-83111 Maragheh Iran;

Univ Trieste Dept Chem &

Pharmaceut Sci Via L Giorgieri 1 I-34127 Trieste Italy;

Univ Lisbon Inst Super Tecn Ctr Quim Estrutural Complex 1 Av Rovisco Pais P-1049001 Lisbon Portugal;

RUDN Univ Organ Chem Dept Miklukho Maklaya Str 6 Moscow 117198 Russia;

Gebze Tech Univ Dept Chem Gebze Turkey;

Univ Maragheh Fac Sci Dept Chem POB 55181-83111 Maragheh Iran;

Univ Barcelona Dept Quim Inorgan &

Organ Marti i Franques 1-11 E-08028 Barcelona Spain;

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类化学工业;晶体学;
关键词

相似文献

外文文献
中文文献
专利

1. Experimental and theoretical study of Pb center dot center dot center dot S and Pb center dot center dot center dot O sigma-hole interactions in the crystal structures of Pb(II) complexes [J] . Velasquez Juan D., Mahmoudi Ghodrat, Zangrando Ennio, CrystEngComm . 2019,第40期

机译：Pb中心点中心点中心点S和PB中心点中心点中心点O Sigma-Hop晶体结构中的实验与理论研究
2. Structural and X-ray powder diffraction studies of nano-structured lead(II) coordination polymer with eta(2) Pb center dot center dot center dot C interactions [J] . Ahmadzadi H, Marandi F, Morsali A Journal of Organometallic Chemistry . 2009,第22期

机译：具有eta（2）Pb中心点中心点中心点C相互作用的纳米结构铅（II）配位聚合物的结构和X射线粉末衍射研究
3. Elaboration, crystal structure, vibrational, optical properties, thermal analysis and theoretical study of a new inorganic-organic hybrid salt [C4H12N2](4)center dot Pb2Cl11 center dot Cl center dot 4H(2)O [J] . Journal of Molecular Structure . 2020,第期

机译：新型无机 - 有机杂交盐的阐述，晶体结构，振动，光学性质，热分析和理论研究[C4H12N2]（4）中心点PB2CL11中心点CL中心点4H（2）O.
4. Comparative investigation of quantum-dot-like localization centers in InGaN quantum well and quantum dot structures [C] . K. Sebald, H. Lohmeyer, J. Gutowski, Symposium on GaN, AIN, InN and Related Materials . 2006

机译：IngaN量子阱和量子点结构中量子点状定位中心的比较研究
5. Development of a Liquid Contacting Method for Investigating Photovoltaic Properties of PbS Quantum Dot Solids [D] . Dereviankin, Vitalii Alekseevich. 2018

机译：一种研究PBS量子点固体光伏性能的液体接触方法
6. Low rate of non-compliance to antituberculous therapy under the banner of directly observed treatment short course (DOTS) strategy and well organized retrieval system: a call for implementation of this strategy at all DOTS centers in Saudi Arabia [O] . Liaqat Ali Chaudhry, Jaffar Al-Tawfiq, Ebtesam Ba-Essa, 2015

机译：在直接观察到的短期治疗（DOTS）策略和组织良好的检索系统的旗帜下抗结核治疗的不合规率低：呼吁在沙特阿拉伯的所有DOTS中心实施该策略
7. Isomeric N-(iodophenyl) nitrophthalimides: interplay of C-H center dot center dot center dot O hydrogen bonds, iodo center dot center dot center dot nitro and iodo center dot center dot center dot carbonyl interactions, and aromatic pi center dot center dot center dot pi stacking interactions [O] . Glidewell, C, Low, J N, Skakle, J M S, 2005

机译：N-（碘苯基）硝基邻苯二甲酰亚胺：CH中心点中心点中心点O氢键，碘中心点中心点中心点硝基和碘中心点中心点中心点羰基相互作用以及芳香族pi中心点中心点中心点pi的相互作用堆叠互动

Experimental and theoretical study of Pb center dot center dot center dot S and Pb center dot center dot center dot O sigma-hole interactions in the crystal structures of Pb(II) complexes

摘要

著录项

相似文献

相关主题

期刊订阅