scholarly journals Computational Investigation on the Photophysical Properties of Halogenated Tetraphenyl BODIPY

2020 ◽  
Vol 124 (20) ◽  
pp. 11100-11109
Author(s):  
Vladimir Pomogaev ◽  
Sandro Chiodo ◽  
Kenneth Ruud ◽  
Rimma Kuznetsova ◽  
Pavel Avramov
Keyword(s):  
Photophysical Properties ◽  
Computational Investigation

The impact of heteroatom substitution on cross-conjugation and its effect on the photovoltaic performance of DSSCs – a computational investigation of linear vs. cross-conjugated anchoring units

2018 ◽  
Vol 20 (35) ◽  
pp. 22660-22673 ◽  
Author(s):  
Mahalingavelar Paramasivam ◽  
Ramesh Kumar Chitumalla ◽  
Joonkyung Jang ◽  
Ji Ho Youk
Keyword(s):  
Photophysical Properties ◽  
Energy Levels ◽  
Photovoltaic Performance ◽  
Computational Investigation ◽  
Conjugated Systems ◽  
Reverse Trend ◽  
Heteroatom Substitution ◽  
The Impact

The heteroatom substitution on cross conjugation takes a reverse trend to the linear π-conjugated systems by means of energy levels and photophysical properties. The resultant changes directly affecting the photovoltaic performance of DSSCs.

Synthesis, electrochemical/photophysical properties and computational investigation of 3,5-dialkyl BODIPY fluorophores

2018 ◽  
Vol 482 ◽  
pp. 130-135 ◽  
Author(s):  
Yavuz Derin ◽  
Raşit Fikret Yılmaz ◽  
İbrahim Halil Baydilek ◽  
Vildan Enisoğlu Atalay ◽  
Abdil Özdemir ◽  
...  
Keyword(s):  
Photophysical Properties ◽  
Computational Investigation

Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes

2018 ◽  
Vol 122 (10) ◽  
pp. 2809-2815 ◽  
Author(s):  
Bruna C. De Simone ◽  
Gloria Mazzone ◽  
Nino Russo ◽  
Emilia Sicilia ◽  
Marirosa Toscano
Keyword(s):  
Photophysical Properties ◽  
Computational Investigation ◽  
Halogen Atoms

A Combined Experimental and Computational Investigation on Spectroscopic and Photophysical Properties of a Coumarinyl Chalcone

2016 ◽  
Vol 26 (4) ◽  
pp. 1357-1365 ◽  
Author(s):  
Abdullah G. Al-Sehemi ◽  
Mehboobali Pannipara ◽  
Abul Kalam ◽  
Abdullah M. Asiri
Keyword(s):  
Photophysical Properties ◽  
Computational Investigation

Excitation energies, singlet–triplet energy gaps, spin–orbit matrix elements and heavy atom effects in BOIMPYs as possible photosensitizers for photodynamic therapy: a computational investigation

2018 ◽  
Vol 20 (4) ◽  
pp. 2656-2661 ◽  
Author(s):  
Bruna Clara De Simone ◽  
Gloria Mazzone ◽  
Nino Russo ◽  
Emilia Sicilia ◽  
Marirosa Toscano
Keyword(s):  
Photodynamic Therapy ◽  
Photophysical Properties ◽  
Heavy Atom ◽  
Spin Orbit ◽  
Matrix Elements ◽  
Computational Investigation ◽  
Triplet Energy ◽  
Excitation Energies ◽  
Halogen Atoms ◽  
Energy Gaps

Introduction of halogen atoms in different amounts and positions into the BOIMPY skeleton significantly affects its photophysical properties.

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