scholarly journals A fluorescent calix[4]arene with naphthalene units at the upper rim exhibits long fluorescence emission lifetime without fluorescence quenching

RSC Advances ◽  
2021 ◽  
Vol 11 (19) ◽  
pp. 11651-11654
Author(s):  
Masaki Takahashi ◽  
Naoya Tsuji ◽  
Kohei Yazaki ◽  
Yoshihisa Sei ◽  
Makoto Obata
Keyword(s):  
Fluorescence Quenching ◽  
Dft Calculations ◽  
Fluorescence Lifetime ◽  
Fluorescence Emission ◽  
Π Interactions ◽  
Emission Lifetime ◽  
Td Dft ◽  
Upper Rim ◽  
Macrocyclic Structure

Macrocyclic structure brings long fluorescence lifetime emission without fluorescence quenching and TD-DFT calculations revealed π–π interactions between the naphthalene rings.

scholarly journals Photophysical properties of tetraphenylporphyrinsubphthalocyanine conjugates

2016 ◽  
Vol 20 (01n04) ◽  
pp. 1-20 ◽  
Author(s):  
Muthumuni Managa ◽  
John Mack ◽  
Daniel Gonzalez-Lucas ◽  
Sonia Remiro-Buenamañana ◽  
Charmaine Tshangana ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Dft Calculations ◽  
Optical Spectroscopy ◽  
Electronic Structures ◽  
Magnetic Circular Dichroism ◽  
Photophysical Properties ◽  
Fluorescence Emission ◽  
Significant Extent ◽  
Td Dft ◽  
Circular Dichroïsm

Novel tetraphenylporphyrin-subphthalocyanine conjugates have been prepared and characterized. An analysis of their optical spectroscopy and electronic structures using fluorescence emission and magnetic circular dichroism (MCD) spectroscopy and TD-DFT calculations, demonstrates that the two chromophores do not interact to any significant extent.

DFT/TD-DFT calculations on the sensing mechanism of a dual response near-infrared fluorescent chemosensor for superoxide anion and hydrogen polysulfides: photoinduced electron transfer

RSC Advances ◽  
2016 ◽  
Vol 6 (106) ◽  
pp. 104735-104741 ◽  
Author(s):  
Xiao-Fei Sun ◽  
Zhi-Xiang Zhang ◽  
Wei Li ◽  
Fu-Quan Bai ◽  
Jian Wang ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Fluorescence Quenching ◽  
Dft Calculations ◽  
Photoinduced Electron Transfer ◽  
Superoxide Anion ◽  
Near Infrared ◽  
Fluorescent Chemosensor ◽  
Sensing Mechanism ◽  
Dual Response ◽  
Td Dft

Fluorescence quenching by the PET process in HCy-FN.

Synthesis, crystal structures, photophysical, electrochemical studies, DFT and TD-DFT calculations and Hirshfeld analysis of new 2,2′:6′,2′′-terpyridine ligands with pendant 4′-(trimethoxyphenyl) groups and their homoleptic ruthenium complexes

2020 ◽  
Vol 44 (27) ◽  
pp. 11471-11489 ◽  
Author(s):  
Golla Ramesh ◽  
Raghavendra Kumar P. ◽  
Manohar Pillegowda ◽  
Ganga Periyasamy ◽  
P. A. Suchetan ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Crystal Structures ◽  
Emission Spectra ◽  
Electrochemical Studies ◽  
Absorption And Emission ◽  
X Ray ◽  
Π Interactions ◽  
Td Dft ◽  
Hirshfeld Analysis ◽  
Terpyridine Ligands

[Ru(L1)2](PF6)2 (1) and [Ru(L2)2](PF6)2 (2): X-ray structures, CH⋯F/O, OH⋯F/N, CH⋯O/π, π⋯π interactions, absorption and emission spectra, DFT/TD-DFT, Hirshfeld analysis.

scholarly journals Theoretical investigations on the structure–property relationships of Au13and AuxM13−xnanoclusters

RSC Advances ◽  
2017 ◽  
Vol 7 (81) ◽  
pp. 51538-51545 ◽  
Author(s):  
Ying Lv ◽  
Xi Kang ◽  
Sha Yang ◽  
Tao Chen ◽  
Ao Liu ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Theoretical Investigations ◽  
Td Dft

The effect of ligands and dopants on AuxM13−xNCs was studied by DFT and TD-DFT calculations.

Exploring of Indole Derivatives for ESIPT Emission: A New ESIPT-based Fluorescence Skeleton and TD-DFT Calculations

2021 ◽  
pp. 113487
Author(s):  
Serdal Kaya ◽  
Hatice Gülten Aydın ◽  
Selbi Keskin ◽  
Zeynep Ekmekci ◽  
Nurettin Menges
Keyword(s):  
Dft Calculations ◽  
Indole Derivatives ◽  
Td Dft

Dual role of silver in a fluorogenic N-squaraine probe based on Ag(I)-π interactions

2021 ◽  
Author(s):  
Manel Vega ◽  
Salvador Blasco ◽  
Enrique García-España ◽  
Bartolome Soberats ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Experimental Evidence ◽  
Dual Role ◽  
Π Interactions ◽  
Turn On

In the presence of Ag(I), the monoanion of a cyano-N-squaraine (I) generates an intense fluorescent turn-on response. Experimental evidence and DFT calculations reveal a sequence of deprotonation-coordination events in which...

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