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- W3196990056 abstract "• Two diphosphines have synthesized and characterized. • The different substituting positions result in the formation of different spatial configurations and weak interactions. • The emissions of complexes 1 and 2 in acetonitrile solution are not similar to those of solid-state samples. Based on α- and β-naphthylamine, two new diphosphines, N,N-bis((diphenylphos phino)methyl)naphthalen-1-amine ( 1 ) and N,N-bis((diphenylphosphino)methyl)naphthalene -2-amine ( 2 ), have been prepared and characterized by IR, 1 H NMR, 31 P NMR, TG, UV-Vis, XRD and X-ray crystal structure analysis. Structural analysis shows that the two Ph 2 PCH 2 - groups in 1 and 2 are disposed in an anti configuration, and the change of the position of the (Ph 2 PCH 2 ) 2 N-group on the naphthalene moiety results in different spatial configurations of the two Ph 2 P- groups and different weak interactions, such as C-H … π and π–π interactions. DFT studies show that the composition of the HOMOs for 1 and 2 are almost the same (the naphthyl group with admixed N and P atoms), but the ingredients of the LUMOs for 1 are different from that for 2, coinciding with the change of Mülliken atomic charges . Moreover, the emission spectra show that the emissions of complexes 1 and 2 in acetonitrile solution are not similar to those of solid-state samples." @default.
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- W3196990056 date "2022-01-01" @default.
- W3196990056 modified "2023-10-16" @default.
- W3196990056 title "Synthesis, structures, DFT studies and properties of novel tertiary diphosphines based on α- and β-naphthylamine" @default.
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- W3196990056 doi "https://doi.org/10.1016/j.molstruc.2021.131375" @default.
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