期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 118, 期 40, 页码 9397-9410出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp505507x
关键词
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资金
- CSIR [01(2766)/13/EMR-II]
- DST, Government of India [SR/S1/IC-33/2010]
- UGC
Combined experimental and density functional theory (DFT) and time-dependent density functional theory (TD-DFT) studies were carried out to investigate the structural and electronic properties of a terpyridyl-phenylimidazole system covalently linked to pyrene, 10-(4-[2,2':6',2 ''-terpyridine]terpyridin-4'-yl-phenyl)-9H-9,11- diazacyclopenta[e]pyrene (tpy-HImzPy). X-ray crystal structure determination shows that the compound crystallized in monoclinic form with the space group P2(1)/c. The anion and cation sensing properties of tpy-HImzPy were thoroughly studied in dimethyl sulfoxide and in mixed dimethyl sulfoxide water medium through different channels such as absorption, steady-state and time-resolved emission, and H-1 NMR spectroscopic methods. In this work, by grafting the pyrene moiety into the terpyridyl chelating unit, an intraligand-chargetransfer sensitive chromophore has been developed whose absorption and emission behaviors are highly sensitive to selective anions and cations, and the response profiles in terms of absorption or emission intensity and wavelength toward the tested ions varied quite a lot. On the basis of these observations, we developed a unique molecular system capable of performing multiple logic functions such as INHIBIT, OR, XOR, NOR, and XNOR by simply varying the combination and level of various ionic inputs in a systematic manner. In this work, we will also be particularly interested to see the effect of selective anion and cation on the optical properties of receptor by means of computational studies and correlate them with the experimentally observed data.
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