Charge Model 4 and Intramolecular Charge Polarization
نویسندگان
چکیده
منابع مشابه
Electronic polarization reversal and excited state intramolecular charge transfer in donor/acceptor ethynylpyrenes.
An attempt to tune the electronic properties of pyrene (Py) by coupling it with a strong electron donor (-PhNMe2, DMA)/acceptor (anthronitrile, AN) through an ethynyl bridge has been undertaken. A moderate electron donor (iPrOPh-, IPP)/acceptor (2-quinolinyl, 2Q) has also been incorporated, and all four molecules were studied with reference to a neutral molecule, namely, 1-phenylethynylpyrene (...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2007
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct7001607