离域电子
芳香性
星团(航天器)
金属
材料科学
订单(交换)
带隙
电子离域
计算化学
化学物理
纳米技术
化学
分子
有机化学
光电子学
计算机科学
财务
经济
程序设计语言
作者
Zirui Wang,Yayu Yan,Jiali Chen,Qiaohong Li,Jian Zhang
出处
期刊:Materials horizons
[The Royal Society of Chemistry]
日期:2024-01-01
卷期号:11 (1): 297-302
摘要
The pivotal role of clusters and aromaticity in chemistry is undeniable, but there remains a gap in systematically understanding the aromaticity of metal-organic clusters. Herein, this article presents a novel metal-organic π-cluster, melding both metal-organic chemistry and aromaticity, to guide the construction of structurally stable Os-organic π-clusters. An in-depth analysis of these clusters reveals their bonding attributes, π-electronic composition, and origins of aromaticity, thereby confirming their unique metal-organic π-cluster properties. Furthermore, the Os5 cluster exhibits a promising third-order nonlinear optical (NLO) response, attributable to its narrow band gap and uniform electron/hole distribution, suggesting its potential as an optical switching material. This research introduces a fresh perspective on clusters, centered on delocalization, and broadens the domain of aromaticity studies. It also presents a novel method for designing efficient third-order NLO materials through consideration of the structure-activity relationship.
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