Structural variety in copper (II) complexes of 3-formylchromone: Synthesis, spectral, thermal, molecular modeling and biological studies
The compound in the title (L) was synthesized and reacted with Cu (II) metal ion with
different anions (OAc−, NO 3−, SO 4 2–, ClO 4−, Cl− and Br−) in absence and presence of …
different anions (OAc−, NO 3−, SO 4 2–, ClO 4−, Cl− and Br−) in absence and presence of …
Novel NO2 semicarbazone ligand and its metal complexes as VEGFR‐2 inhibitors: Synthesis, spectral characterization, density functional theory calculations …
A novel semicarbazone NO2 ligand, H2L, was synthesized. The ligand reacted with several
metal ions such as Cu (II), Ni (II), Co (II), Fe (III), Cr (III), and Mn (II) in a molar ratio 1: 1 (M: L) …
metal ions such as Cu (II), Ni (II), Co (II), Fe (III), Cr (III), and Mn (II) in a molar ratio 1: 1 (M: L) …
The Impact of Solvent Polarity on the Stability, Electronic Properties, and 1H NMR Chemical Shift of the Conformers of 2-Chloro-3-Methylcyclohexan-1-One Oxime: a …
NN Milani, R Ghiasi, A Forghaniha - Journal of Applied Spectroscopy, 2020 - Springer
In this article, the stability of the conformers of 2-chloro-3-methylcyclohexan-1-one oxime
was investigated at the wB97XD/6-311G (d, p) level of theory. Using the self-consistent …
was investigated at the wB97XD/6-311G (d, p) level of theory. Using the self-consistent …
Unveiling the influence of solvent polarity on structural, electronic properties, and 31P NMR parameters of rhenabenzyne complex
P Parsa, R Ghiasi, A Marjani - Inorganic Chemistry Communications, 2021 - Elsevier
In this paper, using the mPW1PW91 functional, quantum chemical calculations were
employed to explore the effect of solvent on structure, electronic, reactivity, and 31 P NMR …
employed to explore the effect of solvent on structure, electronic, reactivity, and 31 P NMR …
A C-PCM investigation of the linear and nonlinear optical properties in Cr(CO)3(η6-corannulene) complex
D Bijani, R Ghiasi, S Baniyaghoob - Optical and Quantum Electronics, 2023 - Springer
The current investigation, interaction of Cr (CO) 3 fragment with corannulene was examined
at the B3LYP*/6-311G (d, p) level of theory. C-PCM study of the formed Cr (CO) 3 (η6 …
at the B3LYP*/6-311G (d, p) level of theory. C-PCM study of the formed Cr (CO) 3 (η6 …
C-PCM study on the electronic and optical properties of Fe (CO) 4B 12N 12 complexes
We explored solvent effect on the stability, dipole moment, polarizability and first
hyperpolarizability of Fe (CO) 4 B 12 N 12 complexes at MPW1PW91/6-311G (d, p) level of …
hyperpolarizability of Fe (CO) 4 B 12 N 12 complexes at MPW1PW91/6-311G (d, p) level of …
Synthesis, characterization of binary and ternary copper (II)-semicarbazone complexes: solvatochromic shift, dipole moments and TD-DFT calculations
Abstract A novel semicarbazone O 2 N donor ligand, HL, was synthesized by condensation
of 2-aminochromone-3-carboxaldehyde with semicarbazide hydrochloride. The HL ligand is …
of 2-aminochromone-3-carboxaldehyde with semicarbazide hydrochloride. The HL ligand is …
Effect of the Solvent Polarity on the Optical Properties in the (OC)5Cr=(OEt)(Ph) Complex: A Quantum Chemical Study
SH Saraf, R Ghiasi - Russian Journal of Physical Chemistry A, 2020 - Springer
In this study, using the B3LYP* method, quantum chemical computations were applied for
analyzing the effects of solvent on the electronic spectrum features of the (OC) 5 …
analyzing the effects of solvent on the electronic spectrum features of the (OC) 5 …
Synthesis, spectroscopic, biological and theoretical studies of nano complexes derived from triazine hydrazone
The objective of this study is synthesizing of binary and mixed ligands complexes by
reacting Co (II), Ni (II), Cu (II) ions with (E)-3-(2-(5, 6-diphenyl-1, 2, 4-triazin-3-yl) hydrazono) …
reacting Co (II), Ni (II), Cu (II) ions with (E)-3-(2-(5, 6-diphenyl-1, 2, 4-triazin-3-yl) hydrazono) …
Cyclometalation in the (η3-C5H5) Co (η2-C2H2)(PMe3) and (η3-C9H7) Co (η2-C2H2)(PMe3) complexes: A computational investigation
R Ghiasi, R Emami, MV Sofiyani - Journal of Molecular Liquids, 2021 - Elsevier
This research examined the cyclometalation in the (η 3-C 5 H 5) Co (η 2-C 2 H 2)(PMe 3)
and (η 3-C 9 H 7) Co (η 2-C 2 H 2)(PMe 3) complexes by using mPW1PW91 functional …
and (η 3-C 9 H 7) Co (η 2-C 2 H 2)(PMe 3) complexes by using mPW1PW91 functional …