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    Theoretical study, and infrared and Raman spectra of copper(II) chelated complex with dibenzoylmethane 

    Type: Journal Paper
    Author : A.-R. Nekoei; محمد وکیلی; مهنوش حکیمی تبار; سیدفرامرز طیاری; راهله افضلی; H.G. Kjaergaard; Mohamad Vakili; Mahnoosh Hakimitabar; Sayyed Faramarz Tayyari; Raheleh Afzali
    Year: 2014
    Abstract:

    There are some discrepancies in both the vibrational assignments and in the metal–ligand (M–L) bond strengths predicted in the previous studies on the copper (II) chelated complex of dibenzoylmethane, Cu(dbm)2. Also, there ...

    Conformation, molecular structure, and vibrational assignment of bis(3,5-heptanedionato)copper(II) 

    Type: Journal Paper
    Author : سمیرا سلطانی قوشخانه; محمد وکیلی; سیدفرامرز طیاری; Ali Reza Berenji; وحیدرضا داروگر; Samira Soltani Ghoshkhaneh; Mohamad Vakili; Sayyed Faramarz Tayyari; Ali Reza Berenji; Vahidreza Darugar
    Year: 2019
    Abstract:

    Density functional theory (DFT) and Atoms-in-Molecules (AIM) analyses as well as Fourier transform
    Infrared, Raman, and UV spectra have been used to investigate the structure and vibrational spectra of
    bis(3,5-hept ...

    DFT studies on the Structure and metal-ligand bond strength in bis (trifluoroacetylacetonato)copper (II 

    Type: Conference Paper
    Author : مهنوش حکیمی تبار; رامش خیرآبادی; محمد وکیلی; Mahnoosh Hakimitabar; ramesh kheirabadi; Mohamad Vakili
    Year: 2018
    Abstract:

    In this paper, molecular structure, relative stability and ligand-metal bond strength of bis (trifluoroacetylaceton) copper (II), Cu (tfaa) 2, have been investigated by applying density functional theory (DFT), Natural ...

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