Electrophilicity-Based Charge Transfer Descriptor

Padmanabhan, J.; Parthasarathi, Ramakrishnan; Subramanian, V.; Chattaraj, Pratim Kumar

doi:10.1021/jp0649549

Cited by 464 publications

(199 citation statements)

References 14 publications

(21 reference statements)

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“…As outcome data, the ligand orbitals along with great molecular orbital coefficients value could be the best suitable web position correct complexation. Gap energy was main index for stability supported to report the kinetic stability and chemical reactivity of the compounds [27].…”

Section: Electronic Spectra and Magnetic Moment Measurementsmentioning

confidence: 99%

Synthesis, Characterization and Biological Approach of N’-(3-(Hydroxy Imino) Butan-2-ylidene)-2-Oxo-2H-Chromene-3-Carbohydrazide Complexes

Rr¹,

Km²,

Ee³

2017

Mod Chem appl

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A series of metal complexes of Cu(П), Co(П), Ni (П), Cd(П) and Hg(П) complexes with N'-(3-(hydroxyimino) butan-2-ylidene)-2-oxo-2H-chromene-3-carbohydrazide (H 2 L) were prepared. The structures illuminated by elemental and thermal analysis, besides spectroscopic methods (IR, 1 H NMR, and UV-visible, MS) and physical measurements (molar conductance and magnetic susceptibility). In addition, DFT method used to approve the geometry of solid complexes. From conductmetric measurements, all complexes were non-electrolytic and formed by molar ratio 1:2 expect Hg(П) complexes by 1:1. Moreover, the biological activity (Antibacterial, antifungal and DNA binding) performed for all prepared compounds.

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Section: Electronic Spectra and Magnetic Moment Measurementsmentioning

confidence: 99%

Synthesis, Characterization and Biological Approach of N’-(3-(Hydroxy Imino) Butan-2-ylidene)-2-Oxo-2H-Chromene-3-Carbohydrazide Complexes

Rr¹,

Km²,

Ee³

2017

Mod Chem appl

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“…The energies of frontier molecular orbitals (E HOMO + E LUMO ), energy band gap (E HOMO -E LUMO ) which shows the eventual charge-transfer interaction within the molecule, electronegativity (χ), chemical potential (µ), global hardness (η), global softness (S) and global electrophilicity index (ω) [45]- [46] are appeared in Table 3.…”

Section: Compound E H Ev El Ev (E H -E L ) Evmentioning

confidence: 99%

New Square-Pyramidal Oxovanadium (IV) Complexes Derived from Polydentate Ligand (L<sup>1</sup>)

Hassoon¹,

Al‐Radadi²,

Nawar³

et al. 2016

OJIC

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“…The energies of frontier molecular orbitals (E HOMO , E LUMO ), band gap describes the ultimate charge transfer happens within molecules, chemical potential (µ), electronegativity (χ), global softness (S) global hardness (η) and global electrophilicity index (ω) [50,51] are listed in, the inverse value of the global hardness is designed as the softness ϭ as follows: Table 14. The fungicide Colitrimazole and the bactericide Ampicillin were used as references to compare the potency of the tested compounds under the same conditions ( Figure 12).…”

Section: N(10)-c(9) O(14)-c(9)-n(10) O(14)-c(9)-c(8) O(13)-c(8)-n(7)mentioning

confidence: 99%

2-(2-(2-Hydroxybenzyliden) Hydrazinyl)-2-Oxo-N-(Pyridine-2-Yl) Acetamide Complexes: Synthesis, Characterization and Biological Studies

El-Reash¹,

Zaky²,

Yaseen³

2016

Chem Sci J

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Citation: El-Reash YGA, Zaky R, Yaseen MA (2016) 2-(2-(2-Hydroxybenzyliden) Hydrazinyl)-2-Oxo-N-(Pyridine-2-Yl) Acetamide Complexes: Synthesis, Characterization and Biological Studies. Chem Sci J 7: 145. doi: 10.4172/2150-3494.1000145 Copyright: © 2016 El-Reash YGA, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Keywords: Hydrazones; DFT; DND; Potentiometry IntroductionHydrazones are versatile ligands and possessing an azomethine -NHN=CH-proton groups. They can be described by the following general structure R 2 C = NNR 2 . Hydrazone ligands and their metal complexes were attracted many authors because of their varied applications in biological, pharmaceutical, analytical, catalytic [1][2][3][4][5] and industrial fields. Hydrazones and their coordination compounds play important roles in treatment of different diseases. Hydrazones considered as an significant class of compounds with wide importance due to their various biological applications such as anticonvulsant, analgesic, antidepressant, antimalarial, antiplatelet, antimycobacterial, antimicrobial, antiviral, anticancer, antidiabetic, vasodilator, anthelmintic,. This work targets the synthesize and characterization Co(II) and Ni(II) complexes of 2-(2-(2-hydroxybenzyliden) hydrazinyl)-2-oxo-N-(pyridine-2-yl) acetamid (H 2 L). The geometry and modes of chelation of complexes were discussed based on the resulted (DFT) quantum calculations, the magnetic moment, the different spectroscopic methods ( 1 H and 13 C-NMR, UV-visible, IR, EI-mass). Moreover, the thermal decomposition steps were studied and both the kinetics and thermodynamic factors were determined using Coats-Redfern and Horowitz-Metzger models. In addition, potentiometric titrations were done in 50% DMSO-water mixture at various temperatures (298, 308 and 318 K) respectively. Moreover, their Minimum inhibitory concentration (MIC) and DNA-binding affinity assay were tested. (C, H and N) percent presented in the prepared ligand (H 2 L) and complexes were detected using a Perkin-Elmer 2400 series II analyzer, while chloride and metal contents determined using standard methods reported previously [15]. A thermogravimetric analyzer (TGA-50H) from Shimadzu, Japan, used for both thermogravimetric (TGA) and differential thermal analysis (DTA) measurements with a heating rate of 10°C/min on at temperature range (20-800°C) and nitrogen flow rate of 15 ml/min. A Sherwood Magnetic Balance was utilized to measure the magnetic susceptibility of solid complexes. A Mattson 5000 FTIR spectrophotometer was used to analyze the prepared ligand and complexes under range of (4000-400 cm -1 ) in KBr discs. While; the electronic spectra of complexes (in DMSO solution) was recorded using a Perkin Elmer Lamda 25 UV/Vis Spectrophotometer. 1 H, 13 C-NMR measurements were done on Mercury and Gemini 400 MHZ spectrome...

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Electrophilicity-Based Charge Transfer Descriptor

Cited by 464 publications

References 14 publications

Synthesis, Characterization and Biological Approach of N’-(3-(Hydroxy Imino) Butan-2-ylidene)-2-Oxo-2H-Chromene-3-Carbohydrazide Complexes

Synthesis, Characterization and Biological Approach of N’-(3-(Hydroxy Imino) Butan-2-ylidene)-2-Oxo-2H-Chromene-3-Carbohydrazide Complexes

New Square-Pyramidal Oxovanadium (IV) Complexes Derived from Polydentate Ligand (L<sup>1</sup>)

2-(2-(2-Hydroxybenzyliden) Hydrazinyl)-2-Oxo-N-(Pyridine-2-Yl) Acetamide Complexes: Synthesis, Characterization and Biological Studies

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Electrophilicity-Based Charge Transfer Descriptor

Cited by 464 publications

References 14 publications

Synthesis, Characterization and Biological Approach of N’-(3-(Hydroxy Imino) Butan-2-ylidene)-2-Oxo-2H-Chromene-3-Carbohydrazide Complexes

Synthesis, Characterization and Biological Approach of N’-(3-(Hydroxy Imino) Butan-2-ylidene)-2-Oxo-2H-Chromene-3-Carbohydrazide Complexes

New Square-Pyramidal Oxovanadium (IV) Complexes Derived from Polydentate Ligand (L&lt;sup&gt;1&lt;/sup&gt;)

2-(2-(2-Hydroxybenzyliden) Hydrazinyl)-2-Oxo-N-(Pyridine-2-Yl) Acetamide Complexes: Synthesis, Characterization and Biological Studies

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New Square-Pyramidal Oxovanadium (IV) Complexes Derived from Polydentate Ligand (L<sup>1</sup>)