Synthesis, X-ray crystal structure, DFT calculations, spectroscopic characterization and redox behaviour of a rhodium(III) complex of an anthracene–pyridylhydrazone ligand
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A pyridylhydrazone incorporating an anthracene moiety, designated as HLAnc, has been synthesized in order to examine its coordination behaviour towards rhodium(III). The complex [RhLAnc(PPh3)2Cl2], incorporating a four-membered metallacycle, has been isolated and authenticated by a single-crystal X-ray diffraction study. The complex shows interesting redox and optoelectronic properties, and to better understand these, theoretical investigations have been performed using density functional theory (DFT) and time-dependent DFT. The visible excitation for the complex arises from primarily mixed singlet-manifold 1ILCT and 1LLCT transitions.
We are thankful to the State Council for Science and Technology, West Bengal (Grant No. 683(Sanc.)/ST/P/S&T/4G-11/2014), for their financial support. We express our deep sense of gratitude to Prof. Kausikisankar Pramanik of Jadavpur University for permitting us to use all the instrumental facilities of his Laboratory. Grants from DST-FIST for the instrumental facility in SXC are gratefully acknowledged. We express our deep sense of gratitude to the Department of Science and Technology, New Delhi, India, for the data collection on the CCD facility set-up (Jadavpur University). S. Dinda acknowledges WBDST for his research fellowship. S. C. Patra thanks UGC, New Delhi (No. F. 4-2/2006(BSR)/CH/15-16/0173), for his fellowship.
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