光敏剂中金属-金属键合的影响：红移吸收和振荡器强度增强

IF 6.4 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Frontiers Pub Date : 2024-09-06 DOI:10.1039/D4QI02131B

Oshan J. Jinarathne and Malkanthi K. Karunananda

{"title":"光敏剂中金属-金属键合的影响：红移吸收和振荡器强度增强","authors":"Oshan J. Jinarathne and Malkanthi K. Karunananda","doi":"10.1039/D4QI02131B","DOIUrl":null,"url":null,"abstract":"Metal–metal bonding of known bimetallic photosensitizers featuring Ru–Ru, Mo–Mo, Ag–Ag and Rh–Rh bonds was explored using computational modeling benchmarked by established experimental parameters. The analysis reveals that these metal–metal bonds facilitate (1) a red-shift in the maximum absorption wavelength (λmax) and (2) an increase in the oscillator strength of the λmax peak. A statistical analysis also reveals a strong correlation between the metal–metal bond order and the oscillator strength. These trends show that metal–metal bonds play a significant role in enhancing the photophysical properties of photosensitizers and inform future photosensitizer designs.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":" 22","pages":" 7812-7821"},"PeriodicalIF":6.4000,"publicationDate":"2024-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Effects of metal–metal bonding in photosensitizers: red-shifted absorption and oscillator strength enhancement†\",\"authors\":\"Oshan J. Jinarathne and Malkanthi K. Karunananda\",\"doi\":\"10.1039/D4QI02131B\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Metal–metal bonding of known bimetallic photosensitizers featuring Ru–Ru, Mo–Mo, Ag–Ag and Rh–Rh bonds was explored using computational modeling benchmarked by established experimental parameters. The analysis reveals that these metal–metal bonds facilitate (1) a red-shift in the maximum absorption wavelength (λmax) and (2) an increase in the oscillator strength of the λmax peak. A statistical analysis also reveals a strong correlation between the metal–metal bond order and the oscillator strength. These trends show that metal–metal bonds play a significant role in enhancing the photophysical properties of photosensitizers and inform future photosensitizer designs.\",\"PeriodicalId\":79,\"journal\":{\"name\":\"Inorganic Chemistry Frontiers\",\"volume\":\" 22\",\"pages\":\" 7812-7821\"},\"PeriodicalIF\":6.4000,\"publicationDate\":\"2024-09-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Inorganic Chemistry Frontiers\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.rsc.org/en/content/articlelanding/2024/qi/d4qi02131b\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganic Chemistry Frontiers","FirstCategoryId":"92","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2024/qi/d4qi02131b","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}

引用次数: 0

摘要

通过计算建模，以既定的实验参数为基准，探索了以 Ru-Ru、Mo-Mo、Ag-Ag 和 Rh-Rh 键为特征的已知双金属光敏剂的金属-金属键。分析表明，这些金属-金属键促进了 1) 最大吸收波长 (λmax) 的红移和 2) λmax 峰振荡器强度的增加。统计分析还显示，金属-金属键顺序与振荡器强度之间存在很强的相关性。这些趋势表明，金属-金属键在增强光敏剂的光物理性质方面发挥着重要作用，并为未来的光敏剂设计提供了参考。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Effects of metal–metal bonding in photosensitizers: red-shifted absorption and oscillator strength enhancement†

查看原文本刊更多论文

Effects of metal–metal bonding in photosensitizers: red-shifted absorption and oscillator strength enhancement†

Metal–metal bonding of known bimetallic photosensitizers featuring Ru–Ru, Mo–Mo, Ag–Ag and Rh–Rh bonds was explored using computational modeling benchmarked by established experimental parameters. The analysis reveals that these metal–metal bonds facilitate (1) a red-shift in the maximum absorption wavelength (λ_max) and (2) an increase in the oscillator strength of the λ_max peak. A statistical analysis also reveals a strong correlation between the metal–metal bond order and the oscillator strength. These trends show that metal–metal bonds play a significant role in enhancing the photophysical properties of photosensitizers and inform future photosensitizer designs.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊