In an article, author is Alturk, Sumeyye, once mentioned the application of 627-93-0, Name is Dimethyl adipate, molecular formula is C8H14O4, molecular weight is 174.1944, MDL number is MFCD00008469, category is thiazolidines. Now introduce a scientific discovery about this category, HPLC of Formula: C8H14O4.
Synthesis, spectroscopic characterization, second and third-order nonlinear optical properties, and DFT calculations of a novel Mn(II) complex
A novel Mn(II) complex with 1,3-Thiazolidine-2,4-dicarboxylic acid and 1,10 phenanthroline has been synthesized, and its FT-IR, FT-Raman and UVevis spectra have been recorded. Density functional theory calculations with the HSEH1PBE/6-311++G(d,p) level have been used to determine optimized molecular geometry, harmonic vibrational frequencies, electronic transitions, infrared and Raman intensities and bonding features of [Mn(tda)(phen)] complex (tda = 1,3-Thiazolidine-2,4-dicarboxylic acid; Mn = Manganese (II); phen = 1,10 phenanthroline). The assignments of vibrational modes have been performed on the basis of the weightiness of internal coordinates contributing to the vibrational frequencies calculated by HSEH1PBE method. The calculated small energy gap between HOMO and LUMO energies shows that the charge transfer occurs within Mn(II) complex. Molecular stability, hyper-conjugative interactions, intramolecular charge transfer (ICT) and bond strength have been investigated by the applying of natural bond orbital (NBO) analysis. DFT calculations have been also performed to investigate total static dipole moment (mu), the mean polarizability (
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Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com