Articles with "crystallographic dft" as a keyword



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Crystallographic and DFT studies on host-guest complexes consisting of zinc bisporphyrinates and 1-phenylethylamine

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Published in 2019 at "Journal of Coordination Chemistry"

DOI: 10.1080/00958972.2019.1577962

Abstract: Abstract We have investigated the chirality transfer from 1-phenylethylamine to a 5-amino-1,3-phthalic acid diamide-linked zinc bisporphyrinate through crystallographic and DFT studies. When the hosts were mixed with optically pure 1-phenylethylamine, CD showed moderate signals in… read more here.

Keywords: guest complexes; crystallographic dft; host guest; dft studies ... See more keywords