Theoretical investigations of the reactions of phosphino disilenes and their derivatives with an E=E (E = C, Si, Ge, Sn, and Pb) double bond

Li B.-Y.; Su M.-D.

首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Theoretical investigations of the reactions of phosphino disilenes and their derivatives with an E=E (E = C, Si, Ge, Sn, and Pb) double bond

【24h】

Theoretical investigations of the reactions of phosphino disilenes and their derivatives with an E=E (E = C, Si, Ge, Sn, and Pb) double bond

机译：膦二烯及其衍生物与E = E（E = C，Si，Ge，Sn和Pb）双键反应的理论研究

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

The potential energy surfaces for the reactions of phosphino dimetalalkenes featuring an E=E double bond, Rea-E=E, where E = group 14 elements, were investigated using density functional theory (B3LYP/LANL2DZ). Three types of chemical reactions (i.e., the rearrangement reaction, the transition metal complexation reaction, and the [2 + 2] cycloaddition with a diazene) were used to study the reactivity of the Rea-E=E molecules. The theoretical findings reveal that the smaller the singlet-triplet splitting (ΔE _(st)) of the Rea-E=E, the lower are its activation barriers and, in turn, the more rapid are its chemical reactions. Theoretical observations suggest that the relative reactivity increases in the order Rea-C=C < Rea-Si=Si < Rea-Ge=Ge < Rea-Sn=Sn < Rea-Pb=Pb. In other words, the smaller the atomic weight of the group 14 atom (E), the smaller is the atomic radius of E and the more stable is its phosphino Rea-E=E to chemical reaction. It is thus predicted that the phosphino Rea-C=C and Rea-Si=Si molecules should be stable and readily synthesized and isolated at room temperature, since they are quite inert to chemical reaction. The computational results are in good agreement with the available experimental observations. The theoretical results obtained in this work allow a number of predictions to be made.

机译：使用密度泛函理论（B3LYP / LANL2DZ）研究了具有E = E双键，Rea-E = E（其中E =第14组元素）的膦基双金属烯烃反应的势能面。三种化学反应（即重排反应，过渡金属络合反应和与重氮化合物的[2 + 2]环加成反应）用于研究Rea-E = E分子的反应性。理论发现表明，Rea-E = E的单重态-三重态分裂（ΔE_（st））越小，其激活势垒就越低，反过来，其化学反应也就越快。理论观察表明，相对反应性按以下顺序增加：Rea-C = C

著录项

来源
《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2012年第37期|共9页
作者
Li B.-Y.; Su M.-D.;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词

相似文献

外文文献
中文文献
专利

1. Theoretical investigations of the reactions of phosphino disilenes and their derivatives with an E=E (E = C, Si, Ge, Sn, and Pb) double bond [J] . Li B.-Y., Su M.-D. The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2012,第37期

机译：膦二烯及其衍生物与E = E（E = C，Si，Ge，Sn和Pb）双键反应的理论研究
2. Theoretical investigations of the reactions of phosphino disilenes and their derivatives with an E=E (E = C, Si, Ge, Sn, and Pb) double bond [J] . Li B.-Y., Su M.-D. The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2012,第37期

机译：膦二烯及其衍生物与E = E（E = C，Si，Ge，Sn和Pb）双键反应的理论研究
3. Theoretical investigation of the mechanisms for the reaction of fused tricyclic dimetallenes containing highly strained E=E (E = C, Si, Ge, Sn, and Pb) double bonds [J] . Li B.-Y., Su M.-D. The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2012,第16期

机译：含高应变E = E（E = C，Si，Ge，Sn和Pb）双键的稠合三环双金属透镜反应机理的理论研究
4. Investigation of wettability and interface reactions of Sn-Pb, Sn-Cu, Sn-Ag and Sn-Ag-Cu solders for solar cell interconnections [C] . Schindler Sebastian, Wiese Steffen 3rd Electronic System-Integration Technology Conference . 2010

机译：用于太阳能电池互连的Sn-Pb，Sn-Cu，Sn-Ag和Sn-Ag-Cu焊料的润湿性和界面反应的研究
5. Développement d'un modèle thermodynamique pour les alliages d'usinage Al-Mg-X (X = Bi, Pb, Sn) afin d'optimiser les teneurs en Bi, Pb et Sn [D] . Pilote, Laurent. 2018

机译：Al-Mg-X加工合金的热力学模型（X = BI，PB，SN）进行优化Bi，Pb和Sn等级
6. Identification of bacterial carotenoid cleavage dioxygenase homologs that cleave the interphenyl αβ double bond of stilbene derivatives via a monooxygenase reaction [O] . Erin K. Marasco, Claudia Schmidt-Dannert -1

机译：鉴定通过单加氧酶反应裂解二苯乙烯衍生物的苯基间αβ双键的细菌类胡萝卜素裂解双加氧酶同源物
7. Theoretical Investigation of Triple Bonding between Transition Metal and Main Group Elements in (η5-C5H5)(CO)2M≡ER (M = Cr, Mo, W; E = Si, Ge, Sn, Pb; R = Terphenyl Groups) [O] . 2003

机译：（η5-C5H5）（CO）2m-iner（M = Cr，Mo，W; e = Si，Ge，Sn，Pb; r =三苯基）的过度金属和主要群元素之间三键合的理论研究

Theoretical investigations of the reactions of phosphino disilenes and their derivatives with an E=E (E = C, Si, Ge, Sn, and Pb) double bond

摘要

著录项

相似文献

相关主题

期刊订阅