scholarly journals Addressing Charge‐Transfer and Locally‐Excited States in a Twisted Biphenyl Push‐Pull Chromophore

ChemPhysChem ◽  
2019 ◽  
Vol 20 (21) ◽  
pp. 2860-2873 ◽  
Author(s):  
Elisa Campioli ◽  
Somananda Sanyal ◽  
Agnese Marcelli ◽  
Mariangela Di Donato ◽  
Mireille Blanchard‐Desce ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Locally Excited

Resonance Raman intensity analysis of a dicyanovinyl-azaadamantane: Mode-specific reorganization energies for charge-transfer and locally-excited states

1998 ◽  
Vol 109 (24) ◽  
pp. 10958-10969 ◽  
Author(s):  
Mark Lilichenko ◽  
Dietrich Tittelbach-Helmrich ◽  
Jan W. Verhoeven ◽  
Ian R. Gould ◽  
Anne B. Myers
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Resonance Raman ◽  
Raman Intensity ◽  
Intensity Analysis ◽  
Locally Excited ◽  
Reorganization Energies

scholarly journals Intramolecular charge transfer in aminobenzonitriles and tetrafluoro counterparts: fluorescence explained by competition between low-lying excited states and radiationless deactivation. Part I: A mechanistic overview of the parent system ABN

2016 ◽  
Vol 18 (9) ◽  
pp. 6861-6874 ◽  
Author(s):  
Mireia Segado ◽  
Isabel Gómez ◽  
Mar Reguero
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Intramolecular Charge Transfer ◽  
Fluorescence Pattern ◽  
Locally Excited

The simplicity of the fluorescence pattern of ABN is in fact the outcome of an intricate interplay between locally excited and charge transfer excited states.

scholarly journals Synthesis, regioselective aerobic Pd(ii)-catalyzed C–H bond alkenylation and the photophysical properties of pyrenylphenylpyrazoles

2016 ◽  
Vol 15 (4) ◽  
pp. 580-588 ◽  
Author(s):  
Rafał Flamholc ◽  
Janusz Zakrzewski ◽  
Anna Makal ◽  
Arnaud Brosseau ◽  
Rémi Métivier
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Intramolecular Charge Transfer ◽  
Photophysical Properties ◽  
Dual Emission ◽  
Locally Excited

Pd(ii)-catalyzed C–H alkenylation of a pyrenylphenylpyrazole afforded fluorophore exhibiting solvent-dependent dual emission, resulting from locally-excited (LE) and intramolecular charge transfer (ICT) excited states.

scholarly journals Interplay Between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in Fluorescent Protein Dreiklang

2020 ◽  
Author(s):  
TIRTHENDU SEN ◽  
Yingying Ma ◽  
Igor Polyakov ◽  
Bella Grigorenko ◽  
Alexander Nemukhin ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Excited State ◽  
Charge Transfer ◽  
Excited States ◽  
Fluorescent Protein ◽  
Locally Excited ◽  
Structure And Dynamics ◽  
Dynamics Simulations ◽  
A Charge ◽  
High Level

<div>We present the results of high-level electronic structure and dynamics simulations</div><div>of the photoactive protein Dreiklang. With the goal to understand the details of</div><div>Dreiklang's photocycle, we carefully characterize the excited states of the ON- and</div><div>OFF-forms of Dreiklang. The key ?nding of our study is the existence of a lowlying</div><div>excited state of a charge-transfer (CT) character in the neutral ON form and</div><div>that population of this state, which is nearly isoenergetic with the locally excited</div><div>(LE) bright state, initiates series of steps ultimately leading to the formation of</div><div>the hydrated dark chromophore (OFF state). These results allow us to re?ne the</div><div>mechanistic picture of the Dreiklang's photocycle and photoactivation.</div>

Some comments on the relevance of charge transfer for the 300 nm transition in β, γ unsaturated ketones

1967 ◽  
Vol 297 (1448) ◽  
pp. 40-42 ◽  
Keyword(s):  
Charge Transfer ◽  
Linear Combination ◽  
Excited States ◽  
Single Molecule ◽  
Coupled System ◽  
Random Coil ◽  
Combined System ◽  
Separate Species ◽  
Locally Excited ◽  
Near Ultraviolet

When two (or more) chromophores are brought sufficiently close together in a single molecule, it is commonly observed that the absorption spectrum of the coupled system is not merely a superposition of the spectra of the separate species. For specifying the nature of the transitions of the composite system, a very definite interpretative convenience is achieved through the approach of Longuet-Higgins & Murrell (1955). In their formulation, the basis states employed for a description of the states of the combined system are classified as either ‘locally excited’ or ‘charge transfer’. Locally excited states are those associated with electronic promotions within a single chromophore, and charge transfer states are those that arise from the promotion and transfer of an electron from a filled orbital on one chromophore to an unfilled orbital on another. The electronic states of the coupled system can then be characterized as some linear combination of the interchromo-phoric charge transfer states and the locally excited states characteristic of the separate chromophores. Therefore, the extent to which charge transfer and/or local excitations contribute to transitions of the coupled system is readily given by the coefficients in the linear combination of charge transfer and locally excited states that go to specify a state of the polychromophoric species. Of course, such information is also available, in principle, in an orbital approach. However, it is not nearly so manifest there. The Longuet-Higgins & Murrell method has been applied to the following series of compounds (Moscowitz et al . 1964; Hansen 1964; Mislow 1962): ( + )-(1R)-5-methylenebicyclo[2. 2. 1]hept-2-ene (I), ( + )-(1R)-bicyclo[2. 2. 2]oct-5-ene-2-one (II), and bicyclo[2. 2. 1]hept-2-7-dione (III). The motivation, in part, was to test the extent of validity of a fundamental assumption commonly employed in theo­retical treatments of optically active helical polypeptides (Tinoco 1961), namely, that charge transfer is of negligible importance for the near ultraviolet optical properties of the helical polypeptides, and that electrostatic coupling (without charge transfer) of the locally excited states of the ordered amide monomers is primarily responsible for the enhanced optical activity in the helical conformations relative to the random coil forms.

Picosecond Infrared Spectra and Structure of Locally Excited and Charge Transfer Excited States of Isotope-Labeled 4-(Dimethylamino)benzonitriles

2002 ◽  
Vol 75 (5) ◽  
pp. 957-963 ◽  
Author(s):  
Hiromi Okamoto ◽  
Mariko Kinoshita ◽  
Shigeru Kohtani ◽  
Ryoichi Nakagaki ◽  
Klaas A. Zachariasse
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Infrared Spectra ◽  
Locally Excited

scholarly journals Interplay Between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in Fluorescent Protein Dreiklang

2020 ◽  
Author(s):  
TIRTHENDU SEN ◽  
Yingying Ma ◽  
Igor Polyakov ◽  
Bella Grigorenko ◽  
Alexander Nemukhin ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Excited State ◽  
Charge Transfer ◽  
Excited States ◽  
Fluorescent Protein ◽  
Locally Excited ◽  
Structure And Dynamics ◽  
Dynamics Simulations ◽  
A Charge ◽  
High Level

<div>We present the results of high-level electronic structure and dynamics simulations</div><div>of the photoactive protein Dreiklang. With the goal to understand the details of</div><div>Dreiklang's photocycle, we carefully characterize the excited states of the ON- and</div><div>OFF-forms of Dreiklang. The key ?nding of our study is the existence of a lowlying</div><div>excited state of a charge-transfer (CT) character in the neutral ON form and</div><div>that population of this state, which is nearly isoenergetic with the locally excited</div><div>(LE) bright state, initiates series of steps ultimately leading to the formation of</div><div>the hydrated dark chromophore (OFF state). These results allow us to re?ne the</div><div>mechanistic picture of the Dreiklang's photocycle and photoactivation.</div>

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