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Spectral and Theoretical Investigation of Inclusion Complex between Cinnamic Acid and Hydroxycinnamic Acids with Native Cyclodextrins
Polycyclic Aromatic Compounds ( IF 2.4 ) Pub Date : 2021-01-07 , DOI: 10.1080/10406638.2020.1869794
N. Rajendiran 1 , A. Antony Muthu Prabhu 2 , T. Mohandoss 1 , J. Thulasidhasan 1 , R. Baskaran 1
Affiliation  

Abstract

Cyclodextrins (α-CD and β-CD) effects on three hydroxycinnamic acids (2-hydroxy, 3-hydroxy and 4-hydroxy) were examined and compared with cinnamic acid (CA) by UV–visible, emission and PM3 studies. Two emission peaks were observed for CA molecules in water and in CDs solution. The shorter wavelength (SW) emission peak was appeared around 300 nm from the locally excited state and the longer wavelength (LW) emission peak in the range of 400–500 nm for intramolecular charge transfer (ICT) state. The LW emission intensity dramatically increased with the β-CD concentrations while in α-CD solution, the SW emission intensity was increased. The formation of solid inclusion complexes were investigated using FT-IR, 1H NMR and SEM techniques. Considering size and shape of the guests and CD molecules and results of all experimental part, CA/HCA molecules were partially encapsulated within the CD cavity. PM3 calculation was also carried out to assign the encapsulation of the CA/HCA molecules.



中文翻译:

肉桂酸和羟基肉桂酸与天然环糊精包合物的光谱和理论研究

摘要

通过紫外可见光、发射和 PM3 研究,检测了环糊精(α-CD 和 β-CD)对三种羟基肉桂酸(2-羟基、3-羟基和 4-羟基)的影响,并与肉桂酸 (CA) 进行了比较。在水中和 CDs 溶液中观察到 CA 分子的两个发射峰。较短波长 (SW) 发射峰出现在局部激发态约 300 nm 处,较长波长 (LW) 发射峰出现在分子内电荷转移 (ICT) 态的 400-500 nm 范围内。LW发射强度随着β-CD浓度的增加而显着增加,而在α-CD溶液中,SW发射强度增加。使用 FT-IR 研究了固体包合物的形成,1H NMR和SEM技术。考虑到客体和CD分子的大小和形状以及所有实验部分的结果,CA/HCA分子被部分封装在CD腔内。还进行了 PM3 计算以指定 CA/HCA 分子的封装。

更新日期:2021-01-07
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