期刊
JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
卷 25, 期 5-6, 页码 547-554出版社
WORLD SCIENTIFIC PUBL CO PTE LTD
DOI: 10.1142/S1088424621500437
关键词
beta-Substitution; silver tritolylcorrole; phenylethynyl; HOMO-LUMO gap; extended pi-conjugation
资金
- Council of Scientific and Industrial Research (CSIR), India
- Science and Engineering Research Board, New Delhi [CRG/2020/005958]
A series of 3,17-disubstituted Ag(III) tritolykorroles were synthesized in good to excellent yields using Pd-catalyzed reactions. Among them, MA(2)[TTC]Ag (4) showed potential for nonlinear optical applications due to its high dipole moment. Redox tunability and lower HOMO-LUMO gap were achieved through substituting electron donating and withdrawing groups at the beta-positions.
Facile synthesis of 3,17-disubstituted Ag(III) tritolykorroles (2-5), R-2[TTC]Ag where R = methyl (2), phenyl (3), methyl acrylate (MA) (4) and phenylethynyl (PE) (5) using Pd-catalyzed reactions in good to excellent yields are reported. All synthesized corroles were characterized by various spectroscopic techniques and mass spectrometry. MA(2)[TTC]Ag (4) and PE2[TFC]Ag (5) exhibited highly red-shifted electronic spectral bands with considerable broadening due to extended pi-conjugation and electron withdrawing effect of beta-substituents. Geometry optimization of these corroles was performed using density functional theory (DFT). Among all, MA(2)[TTC]Ag (4) exhibited very high dipole moment (10.31 D) which could be the potential candidate for nonlinear optical (NLO) applications. The redox tunability was achieved by substituting electron donating and withdrawing substituents at the beta-positions. Particularly, corroles 4 and 5 exhibited lower HOMO-LUMO gap due to extended pi-conjugation and electron withdrawing beta-substituents.
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