Fluorescence quenching, DFT, NBO, and TD-DFT calculations on 1, 4-bis [2-benzothiazolyl vinyl] benzene (BVB) and meso-tetrakis (4-sulfonatophenyl) porphyrin (TPPS) in the presence of silver nanoparticles

被引:11
作者
AboAlhasan, Ahmed A. [1 ]
El-Daly, Samy A. [1 ]
Ebeid, El-Zeiny M. [1 ,2 ]
Sakr, Mahmoud A. S. [2 ]
机构
[1] Tanta Univ, Fac Sci, Chem Dept, Tanta, Egypt
[2] Misr Univ Sci & Technol MUST, Ctr Basic Sci CBS, Chem Dept, 6th October City, Egypt
关键词
Silver nanoparticles; Fluorescence quenching; Photo energy transfer; DFT; NBO; TD-DFT; NONLINEAR-OPTICAL PROPERTIES; RESONANCE ENERGY-TRANSFER; ADSORPTION; ABSORPTION; GENERATION; DYES;
D O I
10.1007/s11224-022-02081-0
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Steady-state fluorescence measurements were used to examine the fluorescence quenching of 1, 4-bis [-(2-benzothiazolyl) vinyl benzene (BVB) by sodium salt of meso-tetrakis (4-sulfonatophenyl) porphyrin (TPPS) in the presence and absence of silver nanoparticles (Ag NPs). The energy transfer (ET) process's emission intensities and Stern-Volmer constants (K-SV) showed that Ag NP's presence increased ET's efficiency. The molecular structures of TPPS, TPPS, and BVB/TPPS were optimized using the DFT/B3LYP/6-311G (d) technique to elucidate the mechanism. The discovered optimized molecular structure proved that whereas TPPS and BVB/TPPS MSs are not planar because the porphyrin group in TPPS is rotated out by phenyl sodium sulphate, the BVB MS is planer. All of the theoretical BVB results and the acquired experimental optical results were very similar.
引用
收藏
页码:1265 / 1277
页数:13
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