TUNING THE ELECTRONIC, PHOTOPHYSICAL AND CHARGE TRANSFER PROPERTIES OF SMALL D-A MOLECULES BASED ON THIENOPYRAZINE-TERTHIENYLS BY CHANGING THE DONOR FRAGMENT: A DFT STUDY

TUNING THE ELECTRONIC, PHOTOPHYSICAL AND CHARGE TRANSFER PROPERTIES OF SMALL D-A MOLECULES BASED ON THIENOPYRAZINE-TERTHIENYLS BY CHANGING THE DONOR FRAGMENT: A DFT STUDY

ABSTRACT Four acceptor-donor organic conjugated molecules based on thieno[3,4-b]pyrazine-terthienyls were analyzed in order to explore the effect of the donor substituent on their molecular structures, electronic and optical properties. Density Functional Theory (DFT) and Time-Dependent Density Func...

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Main Authors: AICHA,YOUSSEF AIT, BOUZZINE,SI MOHAMED, ZAIR,TOURIYA, BOUACHRINE,MOHAMMED, HAMIDI,MOHAMED, SALGADO-MORÁN,GUILLERMO, TAGLE,R. RAMIREZ, MENDOZA-HUIZAR,LUIS H.
Language:English
Published: Sociedad Chilena de Química 2017
Subjects:
Thienopyrazine
charge transfer properties
donor-acceptor
DFT
Online Access:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072017000303637
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