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Theoretical study of the electron-withdrawing and donating groups effects on luminescent properties of the europium complexes with substituted 1,10 phenanthroline
Sudarlina, Abdulkadir Martoprawiro M.b
a Chemistry Department of UIN Sunan Kalijaga Yogyakarta, Indonesia
b Chemistry Department of Institut Teknologi Bandung (ITB), Indonesia
[vc_row][vc_column][vc_row_inner][vc_column_inner][vc_separator css=”.vc_custom_1624529070653{padding-top: 30px !important;padding-bottom: 30px !important;}”][/vc_column_inner][/vc_row_inner][vc_row_inner layout=”boxed”][vc_column_inner width=”3/4″ css=”.vc_custom_1624695412187{border-right-width: 1px !important;border-right-color: #dddddd !important;border-right-style: solid !important;border-radius: 1px !important;}”][vc_empty_space][megatron_heading title=”Abstract” size=”size-sm” text_align=”text-left”][vc_column_text]© 2019 IOP Publishing Ltd. All rights reserved.Effects of EDG and EWG on the luminescent properties of Eu(III)1,10-phenanthroline complexes have been studied theoretically using DFT/B3LYP and TDDFT method. The 6-31G basis set was used for the ligand atoms and Stuttgart-RSC-1997-ECP for europium. The groups were varied as 2-X-1,10-phenanthroline and 5-X-1,10-phenanthroline where X is CH3; CH=CH2; F; OH as EDG and CN; CF3; NO2; CHO as EWG. The results showed that the energy difference between singlet and triplet excited state of the ligand (ΔEISC) increasing when using EDG and decreasing when using EWG. The different pattern occurs for energy difference between the triplet excited state of the ligand and the 5D0 level of europium (III) (ΔEET), which increasing when using groups without a double bond (CH3; F; OH; CF3) and decreasing when using groups with a double bond (CH=CH2; CN; NO2; CHO). The highest energy transfer rate (WET) was Eu(III)2-NO2-1,10-phenanthroline which was caused by interaction between NO2 with europium.[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Author keywords” size=”size-sm” text_align=”text-left”][vc_column_text]1 ,10-phenanthroline,Electronwithdrawing,Energy differences,Energy-transfer rate,Europium complex,Europiums (III),Luminescent property,Theoretical study[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Indexed keywords” size=”size-sm” text_align=”text-left”][vc_column_text][/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Funding details” size=”size-sm” text_align=”text-left”][vc_column_text]This research was supported by magister scholarship programme of the Religious Affairs Ministry of the Republic of Indonesia.[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”DOI” size=”size-sm” text_align=”text-left”][vc_column_text]https://doi.org/10.1088/1742-6596/1277/1/012025[/vc_column_text][/vc_column_inner][vc_column_inner width=”1/4″][vc_column_text]Widget Plumx[/vc_column_text][/vc_column_inner][/vc_row_inner][/vc_column][/vc_row][vc_row][vc_column][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][/vc_column][/vc_row]