Ferrocene appended 1,8-naphthalimide chromophores: Synthesis, theoretical, the effect of phenyl substitution on aggregation-induced enhanced emission and second-order nonlinear optical studies

发色团 溶剂变色 化学 光化学 分子内力 二茂铁 荧光 激发态 接受者 量子产额 基态 溶剂 物理化学 立体化学 电化学 有机化学 电极 物理 量子力学 核物理学 凝聚态物理
作者
Vengidusamy Srinivasan Subiksha,Thamodharan Viswanathan,Éric David,S. Balasivanandha Prabu,Nallasamy Palanisami
出处
期刊:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [Elsevier BV]
卷期号:277: 121282-121282 被引量:2
标识
DOI:10.1016/j.saa.2022.121282
摘要

A new ferrocene appended linear donor-π-acceptor (D-π-A) type 1,8-naphthalimide chromophores [FcPhNap-n-butyl (1) and Fc(Ph)2Nap-n-butyl (2)] have been synthesized and characterized using various analytical and spectroscopic techniques. The chromophores 1 and 2 show the one-electron transfer process, which was examined through cyclic voltammetric (CV) method. The solvatochromic studies show red shift by increasing the solvent polarity from non-polar to polar for both the chromophores 1 and 2, due to the better stabilization of the more polarized excited state than the ground state in the polar solvent. The fluorescence studies show low fluorescence emission, which was enhanced by aggregation in THF/water mixture when the water ratio is increased upto 60%, due to the restricted intramolecular rotation (RIR) process in the aggregated state. Also, the quantum yield increases 3.4 (1) and 6.8 (2) times in the aggregation induced enhanced emission (AIEE) state than THF solution for both the chromophores [THF/AIEE = 0.05/0.17 for 1 and 0.03/0.22 for 2]. The second-order non-linear optical properties of the chromophores 1 and 2 were studied using Kurtz and Perry powder technique, chromophore 2 shows 1.2 times higher SHG efficiency than 1, owing to the presence of additional phenyl group in 2, which further supports the effective charge transfer process from donor to acceptor. Furthermore, optical and non-linear optical properties of chromophores 1 and 2 were analyzed by DFT/TD-DFT calculations using different functionals (B3LYP, long-range corrected CAM-B3LYP and LC-BLYP) with 6-31+G** level of theory. The B3LYP functional shows higher hyperpolarizability values [β0 = 109.2 × 10-30 esu (1), 299.7 × 10-30 esu (2)], due to the overestimation of the dipole moment, polarizability and hyperpolarizabilities between the donor-π-acceptor systems in B3LYP-hybrid functional, which leads to incorrect long-range charge transfer.
最长约 10秒,即可获得该文献文件

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
PDF的下载单位、IP信息已删除 (2025-6-4)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
完美世界应助able采纳,获得10
1秒前
辛苦科研人完成签到 ,获得积分10
2秒前
慕青应助xiaowan采纳,获得10
4秒前
魏凡之完成签到 ,获得积分10
5秒前
8秒前
9秒前
fuguier发布了新的文献求助10
10秒前
12秒前
zsk1122完成签到,获得积分10
14秒前
荔枝发布了新的文献求助10
14秒前
lyy完成签到 ,获得积分10
15秒前
18秒前
myuniv完成签到,获得积分10
18秒前
专注鸵鸟完成签到,获得积分10
18秒前
专注之双完成签到,获得积分10
19秒前
Zircon完成签到 ,获得积分10
20秒前
Much完成签到 ,获得积分10
21秒前
21秒前
充电宝应助颠覆乾坤采纳,获得10
22秒前
23秒前
无花果应助pz采纳,获得10
23秒前
zheng完成签到 ,获得积分10
25秒前
量子星尘发布了新的文献求助10
26秒前
星辰大海应助荔枝采纳,获得10
26秒前
LJL发布了新的文献求助10
27秒前
meng发布了新的文献求助10
27秒前
无私的颤完成签到,获得积分10
27秒前
lucky完成签到 ,获得积分10
28秒前
Zel博博完成签到,获得积分10
28秒前
谷粱诗云完成签到,获得积分10
28秒前
yar应助myuniv采纳,获得10
28秒前
xc完成签到 ,获得积分10
29秒前
29秒前
干净的天与完成签到,获得积分10
29秒前
哈基米德应助毅诚菌采纳,获得10
31秒前
铁甲小杨完成签到,获得积分0
31秒前
32秒前
卡机了完成签到,获得积分10
33秒前
平淡绿柏完成签到,获得积分10
35秒前
架子猫发布了新的文献求助10
35秒前
高分求助中
【提示信息,请勿应助】关于scihub 10000
Les Mantodea de Guyane: Insecta, Polyneoptera [The Mantids of French Guiana] 3000
徐淮辽南地区新元古代叠层石及生物地层 3000
The Mother of All Tableaux: Order, Equivalence, and Geometry in the Large-scale Structure of Optimality Theory 3000
Handbook of Industrial Diamonds.Vol2 1100
Global Eyelash Assessment scale (GEA) 1000
Picture Books with Same-sex Parented Families: Unintentional Censorship 550
热门求助领域 (近24小时)
化学 材料科学 医学 生物 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 遗传学 基因 物理化学 催化作用 冶金 细胞生物学 免疫学
热门帖子
关注 科研通微信公众号,转发送积分 4038235
求助须知:如何正确求助?哪些是违规求助? 3575992
关于积分的说明 11374009
捐赠科研通 3305760
什么是DOI,文献DOI怎么找? 1819276
邀请新用户注册赠送积分活动 892662
科研通“疑难数据库(出版商)”最低求助积分说明 815022