Photophysical investigations on determination of molecular structure and binding strength of supramolecular complexation between fulleropyrrolidine and a designed bisporphyrin in solution

Mukherjee, Sibayan; Bauri, A. K.; Bhattacharya, Sumanta

doi:10.1016/j.saa.2013.02.002

Cited by 6 publications

(3 citation statements)

References 23 publications

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“…A sharp peak appeared at 732 nm is due to interaction between alkyl group singlet excited state and fullerene ground state. 26 Corroborate this peak also assigned as a (6,6)region addition on the fullerene. Compound 4c shows high emission in uorescence spectra compare with other alkylated fulleropyrrolidines.…”

Section: Photophysical Studiesmentioning

confidence: 91%

Efficient synthesis of highly soluble and functionalized fulleropyrrolidines

2015

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Section: Photophysical Studiesmentioning

confidence: 91%

Efficient synthesis of highly soluble and functionalized fulleropyrrolidines

2015

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“…In this computational software, the initial geometry of four C4RAs were constructed with the help of Spartan 08 and then optimized by DFT B3LYP 6-311G method. Energy, HOMO energy, LUMO energy and HOMO-LUMO energy gap, Mulliken atomic charges, electrostatic potential map and other theoretical parameters of the systems using the following expressions [2][3][4][5][6][7][8][9][10][11][12][13][14][15][16] respectively [54,55].…”

Section: Theoretical Studiesmentioning

confidence: 99%

“…The solvatochromism was exists as the various organic molecules such as coumarin, chalcones, phatholocyanin and curcumin [10][11][12][13][14]. Besides photophysical investigations of fullerenes with calix [4]resorcinarenes and anthracene ended calix [4]resorcinarene reported from the previous literature [15,16].…”

Section: Introductionmentioning

confidence: 99%

Photophysical, Antioxidant, Antibacterial and NBO, LOL, ELF Analysis of Alkyl Groups Substituted Calix[4]resorcinarenes

Sathiyaseelan

Prabhu²,

Rajendiran

2023

J Fluoresc

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In our work to investigate the photophysical, antibacterial, theoretical and topological analysis of four Calkyl calix[4]resorcinarenes (C4RAs). The solvatochromism and photophysical properties of C4RAs in different solvents were recorded in both UV-Visible and uorescence spectral studies. The total antioxidant capacity and antibacterial activity of four C4RAs were evaluated by phosphomolybdate assay and kirby-bauer method. Theoretical parameters such as HOMO, LUMO, energy gap and Mulliken atomic charges and NBO were optimized by DFT B3LYP 6-311G method. From the results of HOMO and LUMO energies were used to determine the theoretical parameters of four C4RAs. The nucleophilic and electrophilic substitution reactivity of four C4RAs were analyzed by molecular electrostatic potential map analysis. Natural bonding orbital analysis was used to determine the intramolecular charge transfer within the energy difference between acceptor and donor orbitals. The non-covalent interactions of four C4RAs were characterized by LOL and ELF topological analysis.

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