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Synthesis of (Benzofurano)(benzothieno)germole
Author(s) -
Zhang FeiBao,
Ooyama Yousuke,
Ohshita Joji
Publication year - 2017
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201700597
Subject(s) - homo/lumo , thiophene , molecule , sulfur , chemistry , electrochemistry , thermal , computational chemistry , photochemistry , physics , organic chemistry , thermodynamics , electrode
Diphenyl(benzofurano)(benzothieno)germole ( BFBTG ) was prepared by the reaction of dilithio(benzothienylbenzofuran) with dichlorodiphenylgermane. Optical, thermal, and electrochemical properties of BFBTG were investigated in comparison with those of bis(benzofurano)germole and bis(benzothieno)germole. It was found that both the HOMO and LUMO levels are gradually raised by replacing the thiophene sulfur atoms by oxygen, one by one. The changes of the LUMO levels was larger than those of the HOMO levels, thus widening the HOMO‐LUMO energy gaps. This was readily reproduced by DFT calculations on these molecules.