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

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.

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

Influence of halogen atoms and protonation on the photophysical properties of sulfonated porphyrins

2015 ◽  
Vol 633 ◽  
pp. 146-151 ◽  
Author(s):  
L. De Boni ◽  
C.J.P. Monteiro ◽  
C.R. Mendonça ◽  
S.C. Zílio ◽  
P.J. Gonçalves
Keyword(s):  
Photophysical Properties ◽  
Halogen Atoms

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

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

Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)

CrystEngComm ◽  
2015 ◽  
Vol 17 (47) ◽  
pp. 9228-9239 ◽  
Author(s):  
Dong-En Wu ◽  
Man-Ning Wang ◽  
Yang-Hui Luo ◽  
Gao-Ju Wen ◽  
Bai-Wang Sun
Keyword(s):  
Photophysical Properties ◽  
Halogen Atoms
Sign in / Sign up

Export Citation Format

Share Document