☆ 4.6 Article

Liquid-assisted mechanochemical synthesis, crystallographic, Hirshfeld surface and theoretical study for Nonlinear Optical (NLO) properties of novel copper complexes: Bis(2,9-dimethyl-1,10-phenanthroline)-copper perchlorate and bromidobis(1,10-phenanthroline)-copper

JOURNAL OF MOLECULAR STRUCTURE (2023)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Chemistry, Inorganic & Nuclear

Synthesis, structure, and solution behavior of trimethylplatinum(IV) iodide complexes of 3-chloropyridine

Sourav Sutradhar et al.

Summary: Excess 3-chloropyridine reacted with tetrameric trimethylplatinum(IV) iodide to form a mononuclear complex [PtMe3I(3-Clpy)(2)]. The complex was characterized by H-1 NMR and elemental analysis. H-1 NMR spectroscopy revealed the presence of dinuclear complexes syn-[PtMe3I(3-Clpy)](2) and anti-[PtMe3I(3-Clpy)](2), as well as free pyridine ligand.

POLYHEDRON (2023)

添加到收藏夹

Review Chemistry, Physical

Metal-organic framework composites from a mechanochemical process

Wupeng Wang et al.

Summary: Metal-organic frameworks (MOFs) are composed of metal ions or clusters coordinated with organic ligands. They have been widely used as host matrixes for other functional materials to form MOF composites with enhanced stability and functionality. However, mechanochemistry as a synthesis method for MOF composites has not been extensively explored. This review aims to discuss the current progress, strengths, and weaknesses of mechanochemically synthesized MOF composites compared to traditional solution-based methods. It will also cover the importance of mechanochemistry and its fundamental principles, as well as the applications of mechanochemically synthesized composites in catalysis, adsorption, energy generation, and storage.

MOLECULAR SYSTEMS DESIGN & ENGINEERING (2023)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Structural determinations and magnetic properties of a chiral at metal complex and its resulting [Cu-Ln]2 compounds

Jean-Pierre Costes et al.

Summary: A chiral trianionic ligand reacted with Cu-II ions to form anionic [LCu](-) units, which crystallized as infinite 1D zig-zag chains. The reaction with Ln(III) ions resulted in the formation of tetranuclear complexes. The presence of Ln(III) ions affected the stereochemistry of the [LCu](-) units. The structural determinations showed the presence of a symmetry centre except for the methyl groups linked to the chiral carbon atoms.

DALTON TRANSACTIONS (2022)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Crystal structure, DFT-study and NLO properties of the novel copper(I) nitrate π,σ-coordination compound based on 1-allyl-3-norbornan-thiourea

Yurii Slyvka et al.

Summary: This study focused on the synthesis, structural characterization, and investigation of the nonlinear optical properties of a novel copper(I) nitrate coordination compound based on Anor. The experimental results confirmed a much higher efficiency in second-harmonic generation for compound 1 compared to the Anor ligand molecule, as determined through calculations and experiments.

POLYHEDRON (2022)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

CRYSTAL STRUCTURE OF HETEROLIGAND ZINC(II) COMPLEXES WITH PHOSPHORYLATED THIOAMIDE AND DIIMINES

I. A. Litvinov et al.

Summary: The molecular and crystal structures of octahedral zinc complexes with chelated N-phosphorylated thiobenzamide ligands and nitrogen bidentate aromatic ligands (bipyridyl and phenanthroline) were determined by XRD. It was found that the zinc atom in the complexes with thiobenzamide ligands coordinated with sulfur and oxygen atoms of thiocarbonyl and phosphoryl groups to form six-membered metallacycles.

JOURNAL OF STRUCTURAL CHEMISTRY (2022)

添加到收藏夹

Article Biochemistry & Molecular Biology

Comparative investigation of Cu(II) complexes with dithiocarbazate: Structural design, theoretical calculation, and in vitro antitumor activity

Cassia De Q. O. Cavalcante et al.

Summary: This work presents the synthesis and investigation of two dithiocarbazates and their Cu(II) complexes. The complexes show distorted square planar geometry and good agreement between calculated and experimental IR spectra. Hydrogen bonds and pi center dot center dot center dot pi stacking interactions were studied using Hirshfeld surface and fingerprint plots. In vitro studies revealed that the Cu(II) complexes displayed enhanced antitumor activity against human glioma cells compared to the free dithiocarbazates.

JOURNAL OF INORGANIC BIOCHEMISTRY (2022)

添加到收藏夹

Article Biochemistry & Molecular Biology

Synthesis, Crystal Structure, Quantum Chemical Analysis, Electrochemical Behavior, and Antibacterial and Photocatalytic Activity of Co Complex with Pyridoxal-(S-Methyl)-isothiosemicarbazone Ligand

Violeta Jevtovic et al.

Summary: In this study, a new complex of Co(III) with ligand Pyridoxal-S-methyl-isothiosemicarbazone (PLITSC) was synthesized and its structure, stability, and activity were investigated. The obtained complexes showed significant antibacterial activity and dye removal activity, and they catalyzed the reduction of CO2 in acidic media.

MOLECULES (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Triazole-Bridged Zinc Dinuclear Complexes: Mechanochemical Synthesis, Crystal Structure, and Biological Activity

Hee Sun Park et al.

Summary: Two zinc complexes with different crystal structures were synthesized using a mechanochemical method, which exhibits promising anticancer activities.

ACS OMEGA (2022)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Supra molecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate

Biing-Chiau Tzeng et al.

Summary: The reaction of potassium (aza-15-crown-5)dithiocarbamate with Au, Ag, and Cu metals was studied, resulting in different coordination systems, and the size of alkaline metal ions has a significant impact on the structures.

DALTON TRANSACTIONS (2022)

添加到收藏夹

Article Chemistry, Physical

Modeling of Re(I) tricarbonyl complexes against SARS-CoV-2 receptor via DFT, in-silico molecular docking, and QSAR

Ededet A. Eno et al.

Summary: This study investigates the potential inhibitory effects of Rhenium Tricarbonyl complexes on SARS-CoV-2 virus through DFT studies, molecular docking, and multilinear regression analysis. The findings provide important insights into the structural properties and biological activities of these complexes.

CHEMICAL PHYSICS IMPACT (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies

Helen Oluwatola Omoregie et al.

Summary: Mixed-ligand complexes of copper(ii) with various ligands including thienoyltrifluoroacetonate (TTA-H) and 2,2'-bipyridine (bipy) have been synthesized and characterized. The complexes showed different geometries and antimicrobial activities.

RSC ADVANCES (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Two state ON-OFF NLO switch based on coordination complexes of iron and cobalt containing isomeric ligand: a DFT study

Tamseela Bibi et al.

Summary: This study reports on the two-state ON-OFF switchable NLO contrast of coordination complexes of Fe and Co containing isomeric ligands. Through calculations and experiments, it was found that isomer 4b exhibits the highest NLO response. Therefore, these complexes can be used as NLO switch materials.

RSC ADVANCES (2022)

添加到收藏夹

Review Chemistry, Multidisciplinary

Mechanochemical Synthesis of Catalytic Materials

Amol P. Amrute et al.

Summary: The mechanochemical synthesis of nanomaterials for catalytic applications is a growing research field due to its simplicity, scalability, and eco-friendliness. The distinct material properties achieved by mechanochemistry are related to their improved catalytic performance.

CHEMISTRY-A EUROPEAN JOURNAL (2021)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Tetrahedral copper(I) complexes of novel N,N-bidentate ligands and photophysical properties

Larica Pathaw et al.

Summary: A series of copper(I) complexes have been synthesized and characterized, with some of them structurally analyzed using single-crystal X-ray analysis. These complexes exhibit emission properties in the solid-state, but weak emission in solution. Time-dependent density-functional theory calculations indicate charge transfers mainly occur between specific orbitals.

INORGANICA CHIMICA ACTA (2021)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Postsynthetic Modification of Half-Sandwich Ruthenium Complexes by Mechanochemical Synthesis

Wei-Guo Jia et al.

Summary: A mild and environmentally friendly method was reported for synthesizing half-sandwich ruthenium complexes through the Wittig reaction using phosphorus ylide mechanochemically. The synthesized complexes exhibited high catalytic activity in the transfer hydrogenation of ketones without the need for harsh reaction conditions and organic solvents. Density functional theory was used to propose a mechanism for the transfer hydrogenation process, highlighting the importance of the labile p-cymene ligand in modulating catalyst reactivity.

INORGANIC CHEMISTRY (2021)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Correlation between Second Ionization Potential and Nonlinear Optical Properties of Bivalent Transition-Metal Complexes: A Quantum Chemical Study

Meriem Zaidi et al.

Summary: The discovery of new materials with excellent nonlinear optical responses has become an interesting research topic in various domains of materials science. Density functional theory (DFT) has been shown to be a powerful tool in the explanation and prediction of the performance of novel nonlinear optical (NLO) materials. The study explores the NLO properties of 26 bivalent transition-metal complexes using quantum chemical calculations, discussing the correlation between the hyper-polarizability, second harmonic generation, hyper-Rayleigh scattering response, and the second ionization potential of metal and spin state of complexes.

INORGANIC CHEMISTRY (2021)

添加到收藏夹

Article Chemistry, Physical

Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR), HOMO-LUMO, chemical reactivity, AIM, ELF, LOL and Molecular docking studies on 1-Benzyl-4-(N-Boc-amino)piperidine

S. Janani et al.

Summary: In this study, spectroscopic investigations were used to characterize 1-Benzyl-4-(N-Boc-amino)piperidine, and its molecular structure, vibrational frequencies, conformational preferences were studied using Density Functional Theory. The compound's anticancer activity and performance on different protein targets were also investigated, along with other properties such as HOMO-LUMO bandgap energy and electron excitation analysis.

JOURNAL OF MOLECULAR STRUCTURE (2021)

添加到收藏夹

Article Crystallography

Synthesis, Single Crystal Structural Investigation, Hirshfeld Surface Analysis, Thermoanalysis and Spectroscopic Study of Two New Cu(II) and Co(II) Transition-Metal Complexes

Rim Boubakri et al.

Summary: Two new complexes were synthesized and characterized by single crystal X-ray diffraction, elemental analysis, and IR spectroscopy. The compounds exhibit different coordination geometries and intermolecular interactions, as revealed by Hirshfeld surfaces and vibrational spectroscopy.

CRYSTALS (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Computational Study of a Novel Organic Salt Obtained from Benzylamine and an Acidic Component

Muhammad Ashfaq et al.

Summary: A novel Schiff base compound named phenylmethanaminium (E)-4-((benzylimino)methyl)benzoate C7H10N+center dot C15H12NO2- (A) was synthesized and its structure was verified using X-ray diffraction. Noncovalent interactions responsible for crystal packing were explored using Hirshfeld surface analysis. Quantum chemical calculations revealed that the compound has good optical and NLO properties.

ACS OMEGA (2021)

添加到收藏夹

Article Chemistry, Physical

Second harmonic generation in pyrazoline derivatives of dibenzylideneacetones and chalcone: A combined experimental and theoretical approach

Raiane Sodre de Araujo et al.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2020)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Transition metal complexes of novel binuclear Schiff base derived from 3,3′-diaminobenzidine: synthesis, characterization, thermal behavior, DFT, antimicrobial and molecular docking studies

Venkittapuram Palaniswamy Radha et al.

JOURNAL OF COORDINATION CHEMISTRY (2020)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity

Pedro H. O. Santiago et al.

INORGANICA CHIMICA ACTA (2020)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Control of third-order nonlinear optical properties by coordination metal change based on a series of metal organic chains

Xiaoqian Yang et al.

POLYHEDRON (2020)

添加到收藏夹

Article Biology

Molecular docking studies, charge transfer excitation and wave function analyses (ESP, ELF, LOL) on valacyclovir : A potential antiviral drug

Fathima B. Rizwana et al.

COMPUTATIONAL BIOLOGY AND CHEMISTRY (2019)

添加到收藏夹

Article Chemistry, Physical

DFT-based study of the impact of transition metal coordination on the charge transport and nonlinear optical (NLO) properties of 2-{[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylimino]methyl}phenol

Christelle Herliette Atchialefack Alongamo et al.

MOLECULAR PHYSICS (2019)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Dicyanamide-interlaced assembly of Zn(II)-schiff-base complexes derived from salicylaldimino type compartmental ligands: Syntheses, crystal structures, FMO, ESP, TD-DFT, fluorescence lifetime, in vitro antibacterial and anti-biofilm properties

Dhrubajyoti Majumdar et al.

INORGANICA CHIMICA ACTA (2019)

添加到收藏夹

Article Chemistry, Applied

Containing-PMBP N2O2-donors transition metal(II) complexes: Synthesis, crystal structure, Hirshfeld surface analyses and fluorescence properties

Quan-Peng Kang et al.

APPLIED ORGANOMETALLIC CHEMISTRY (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Methodological Survey of Simplified TD-DFT Methods for Fast and Accurate Interpretation of UV-Vis-NIR Spectra of Phthalocyanines

Alexander G. Martynov et al.

ACS OMEGA (2019)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Mononuclear Ru(II) Complexes of an Arene and Asymmetrically Substituted 2,2′-Bipyridine Ligands: Photophysics, Computation, and NLO Properties

Ramakrishna Bodapati et al.

INORGANIC CHEMISTRY (2019)

添加到收藏夹

Article Chemistry, Applied

Novel photo-controllable third-order nonlinear optical (NLO) switches based on azobenzene derivatives

Qiong Xie et al.

DYES AND PIGMENTS (2019)

添加到收藏夹

Article Chemistry, Medicinal

Revisiting the Relationship Between Correlation Coefficient, Confidence Level, and Sample Size

Qifan Yang et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2019)

添加到收藏夹

Article Chemistry, Physical

A first-principles computational and experimental investigation on schiff base cobalt complex towards designing solar cells

Rihab Chouk et al.

JOURNAL OF MOLECULAR STRUCTURE (2019)

添加到收藏夹

Article Chemistry, Physical

Novel Cu(II), Co(II) and Zn(II) metal complexes with mixed-ligand: Synthesis, crystal structure, α-glucosidase inhibition, DFT calculations, and molecular docking

Davut Avci et al.

JOURNAL OF MOLECULAR STRUCTURE (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Mechanosynthesis of sydnone-containing coordination complexes

Nicolas Petry et al.

CHEMICAL COMMUNICATIONS (2019)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Photoswitchable nonlinear optical properties of metal complexes

Xiaonan Xue et al.

DALTON TRANSACTIONS (2018)

添加到收藏夹

Article Chemistry, Physical

Crystal structure and NLO properties of the novel tetranuclear copper(1) chloride π-complex with 3-ally1-2-(allylimino)-1,3-thiazolidin-4-one

A. A. Fedorchuk et al.

JOURNAL OF MOLECULAR STRUCTURE (2018)

添加到收藏夹

Article Chemistry, Multidisciplinary

Mechanochemistry: A Force of Synthesis

Jean-Louis Do et al.

ACS CENTRAL SCIENCE (2017)

添加到收藏夹

Article Physics, Condensed Matter

In situ Cell for X-Ray Single-Crystal Diffraction Experiment at Electric Field

T. Yu. Vergentev et al.

JOURNAL OF SURFACE INVESTIGATION (2015)

添加到收藏夹

Article Spectroscopy

Spectral, morphological, linear and nonlinear optical properties of nanostructured benzimidazole metal complex thin films

P. A. Praveen et al.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2015)

添加到收藏夹

Article Biochemistry & Molecular Biology

Mixed ligand copper(II) complexes of 2,9-dimethyl-1,10-phenanthroline: Tridentate 3N primary ligands determine DNA binding and cleavage and cytotoxicity

Mani Ganeshpandian et al.

JOURNAL OF INORGANIC BIOCHEMISTRY (2014)

添加到收藏夹

Article Chemistry, Physical

Molecular structure, anharmonic vibrational analysis and electronic spectra of o-, m-, p-iodonitrobenzene using DFT calculations

Mohammad Jane Alam et al.

JOURNAL OF MOLECULAR STRUCTURE (2014)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

α-Diimine transition-metal complexes: Mechanochemistry - A new synthetic approach

Clara S. B. Gomes et al.

JOURNAL OF ORGANOMETALLIC CHEMISTRY (2014)

添加到收藏夹

Review Chemistry, Inorganic & Nuclear

Developing iron and ruthenium complexes for potential nonlinear optical applications

Benjamin J. Coe

COORDINATION CHEMISTRY REVIEWS (2013)

添加到收藏夹

Review Chemistry, Multidisciplinary

Mechanochemistry: opportunities for new and cleaner synthesis

Stuart L. James et al.

CHEMICAL SOCIETY REVIEWS (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

The ORCA program system

Frank Neese

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

Strongly Nonlinear Optical Chalcogenide Thin Films of APSe(6) (A=K, Rb) from Spin-Coating

In Chung et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)

添加到收藏夹

Article Chemistry, Multidisciplinary

Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(II) and Co(II) complexes

Dominik Cincic et al.

CRYSTENGCOMM (2011)

添加到收藏夹

Article Materials Science, Multidisciplinary

Synthesis, characterization and third-order nonlinear optical studies of copper complexes containing 1,10-phenanthroline-5,6-dione and triphenylphosphine ligands

B. J. Rudresha et al.

SYNTHETIC METALS (2011)

添加到收藏夹

Article Chemistry, Physical

Vibrational spectroscopic studies and computational study of ethyl methyl ketone thiosemicarbazone

M. R. Anoop et al.

JOURNAL OF MOLECULAR STRUCTURE (2010)

添加到收藏夹

Article Chemistry, Applied

Mechanochemical activation as a tool of increasing catalytic activity

Roman A. Buyanov et al.

CATALYSIS TODAY (2009)

添加到收藏夹

Article Chemistry, Multidisciplinary

Hirshfeld surface analysis

Mark A. Spackman et al.

CRYSTENGCOMM (2009)

添加到收藏夹

Review Chemistry, Multidisciplinary

Multiphoton absorbing materials: Molecular designs, characterizations, and applications

Guang S. He et al.

CHEMICAL REVIEWS (2008)

添加到收藏夹

Article Chemistry, Multidisciplinary

A short history of SHELX

George M. Sheldrick

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2008)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

A series of luminescent Cu(I) mixed-ligand complexes containing 2,9-dimethyl-1,10-phenanthroline and simple diphosphine ligands

Ken Saito et al.

DALTON TRANSACTIONS (2006)

添加到收藏夹

Article Chemistry, Multidisciplinary

Two novel bis(2,9-dimethyl-1,10-phenanthroline)copper(I) complexes:: [Cu(dmp)2]2(PF6)2•0.5(bpmh)•CH3CN and [Cu(dmp)2][N(CN)2]

G King et al.

ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY (2005)

添加到收藏夹

Article Chemistry, Multidisciplinary

Syntheses, characterization and optical properties of some copper(I) halides with 1,10-phenanthroline ligand

JH Yu et al.

NEW JOURNAL OF CHEMISTRY (2004)

添加到收藏夹

Article Biochemistry & Molecular Biology

Synthesis, crystal structure, EPR properties, and anti-convulsant activities of binuclear and mononuclear 1,10-phenanthroline and salicylate ternary copper(II) complexes

P Lemoine et al.

JOURNAL OF INORGANIC BIOCHEMISTRY (2002)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.