Investigating the excited state optical properties and origin of large stokes shift in Benz[c,d]indole N-Heteroarene BF2 dyes with ab initio tools

2018 ◽  
Vol 178 ◽  
pp. 472-480 ◽  
Author(s):  
Yogesh Gawale ◽  
Nagaiyan Sekar
Keyword(s):  
Optical Properties ◽  
Excited State ◽  
Ab Initio ◽  
Stokes Shift ◽  
Large Stokes Shift

Self-absorption-free excited-state intramolecular proton transfer (ESIPT) emitters for high brightness and luminous efficiency organic fluorescent electroluminescent devices

2021 ◽  
Author(s):  
Jakkapan Kumsampao ◽  
Chaiyon Chaiwai ◽  
Chatatrika Sukpattanacharoen ◽  
Thanyarat Chawanpunyawat ◽  
Phattananawee Nalaoh ◽  
...  
Keyword(s):  
Optical Properties ◽  
Excited State ◽  
Proton Transfer ◽  
Stokes Shift ◽  
Intramolecular Proton Transfer ◽  
Luminous Efficiency ◽  
Attractive Feature ◽  
High Brightness ◽  
Electroluminescent Devices ◽  
Large Stokes Shift

Excited-state intramolecular proton transfer (ESIPT) chromophores with an attractive feature of a large Stokes shift in optical properties have been exceedingly considered as prime candidates for various applications. However, as...

scholarly journals Excited-state locked amino analogues of the green fluorescent protein chromophore with a giant Stokes shift

RSC Advances ◽  
2019 ◽  
Vol 9 (66) ◽  
pp. 38730-38734 ◽  
Author(s):  
Snizhana O. Zaitseva ◽  
Dilara A. Farkhutdinova ◽  
Nadezhda S. Baleeva ◽  
Alexander Yu. Smirnov ◽  
Marina B. Zagudaylova ◽  
...  
Keyword(s):  
Excited State ◽  
Green Fluorescent Protein ◽  
Fluorescent Protein ◽  
Stokes Shift ◽  
Large Stokes Shift ◽  
New Class ◽  
Green Fluorescent

We design a new class of excited-state locked GFP chromophores which intrinsically exhibit a very large Stokes shift.

scholarly journals Optical Properties of Lead-Free Double Perovskites by Ab Initio Excited-State Methods

2020 ◽  
Vol 5 (2) ◽  
pp. 457-463 ◽  
Author(s):  
Maurizia Palummo ◽  
Eduardo Berrios ◽  
Daniele Varsano ◽  
Giacomo Giorgi
Keyword(s):  
Optical Properties ◽  
Excited State ◽  
Ab Initio ◽  
Lead Free ◽  
Double Perovskites

Semi-Empirical Calculations and Measurements of Modified Carbocyanines Optical Properties

1997 ◽  
Vol 479 ◽  
Author(s):  
Daniel G. McLean ◽  
Paul Day ◽  
Zhiqiang Wang ◽  
Nansheng Tang ◽  
Weijie Su ◽  
...  
Keyword(s):  
Optical Properties ◽  
Excited State ◽  
Ab Initio ◽  
Electronic Spectra ◽  
Reasonable Agreement ◽  
Dipole Moments ◽  
Hartree Fock ◽  
Spectral Changes ◽  
Multiple Conformations ◽  
Semi Empirical

AbstractWe report semi-empirical calculations of modified 3,3'-diethylthiacyanine iodide (DTC1), 3,3'-diethylthiacarbocyanine iodide (DTC3) and 3,3'-diethylthiadicarbocyanine iodide (DTC5), particularly with halogen substitution at the meso position in the polymethine bridge. Primarily we investigate geometrical changes and infer spectral trends from the molecular orbital levels. The semi-empirical calculations for the unsubstituted DTC3 agree well with an ab initio Hartree-Fock result. In all molecules multiple conformations are examined. Significant changes in dipole moments are noted between the cis and trans forms. Calculated electronic spectra at the CI singles level are compared to the measured spectra with reasonable agreement. Halogenation effects show a rotation of the benzthiazole groups out of planarity. We draw conclusions about consequent effects on solubility and excited state spectral changes.

Remarkable Solvatofluorochromism of a [2.2]Paracyclophane-Containing Organoboron Complex: A Large Stokes Shift Promoted by Excited State Intramolecular Charge Transfer

ChemPhotoChem ◽  
2017 ◽  
Vol 1 (5) ◽  
pp. 188-197 ◽  
Author(s):  
Mirai Tanaka ◽  
Shunsuke Muraoka ◽  
Yasunori Matsui ◽  
Eisuke Ohta ◽  
Atsushi Sakai ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Stokes Shift ◽  
Large Stokes Shift

scholarly journals An NIR-emitting lysosome-targeting probe with large Stokes shift via coupling cyanine and excited-state intramolecular proton transfer

2017 ◽  
Vol 53 (26) ◽  
pp. 3697-3700 ◽  
Author(s):  
Dipendra Dahal ◽  
Lucas McDonald ◽  
Xiaoman Bi ◽  
Chathura Abeywickrama ◽  
Farai Gombedza ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Stokes Shift ◽  
Intramolecular Proton Transfer ◽  
Large Stokes Shift

A NIR-emitting probe with a large Stokes shift (Δλ ≈ 234 nm) can selectively show lysosome organelles without exhibiting “an alkalinizing effect”.

A novel 2-(2′-aminophenyl)benzothiazole derivative displays ESIPT and permits selective detection of Zn2+ ions: experimental and theoretical studies

RSC Advances ◽  
2016 ◽  
Vol 6 (75) ◽  
pp. 71496-71500 ◽  
Author(s):  
Subramaniyan Janakipriya ◽  
Selvaraj Tamilmani ◽  
Sathiah Thennarasu
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Stokes Shift ◽  
Intramolecular Proton Transfer ◽  
Theoretical Studies ◽  
Selective Detection ◽  
Large Stokes Shift ◽  
Benzothiazole Derivative ◽  
Experimental And Theoretical Studies

Synthesis of a novel 2-(2′-aminophenyl)benzothiazole based probe (1) and demonstration of excited state intramolecular proton transfer (ESIPT) with a large Stokes shift (∼246 nm) are presented.

Near-infrared fluorescent dyes with large Stokes shifts: light generation in BODIPYs undergoing excited state intramolecular proton transfer

2017 ◽  
Vol 15 (19) ◽  
pp. 4072-4076 ◽  
Author(s):  
Qiang Fei ◽  
Xianfeng Gu ◽  
Yajing Liu ◽  
Ben Shi ◽  
Hengyan Liu ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Near Infrared ◽  
Fluorescent Dyes ◽  
Stokes Shift ◽  
Intramolecular Proton Transfer ◽  
Large Stokes Shift ◽  
Light Generation ◽  
Stokes Shifts

New ESIPT-based BODIPYs are developed to render the NIR emissions with a large Stokes shift.

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