Theoretical Study of The Luminescence Effects in Trinuclear Silver Organometallic Compounds

2001 ◽  
Vol 708 ◽  
Author(s):  
Roberto Salcedo ◽  
L. Enrique Sansores ◽  
Ana Martínez
Keyword(s):  
Theoretical Study ◽  
Organometallic Compounds ◽  
Organometallic Complex

ABSTRACTThe luminescence and related phenomena of a trinuclear silver organometallic complex has been studied from a theoretical viewpoint (B3LYP/6-31G* level). The study takes into account the relation between this compound and the [Au(CH3N=COCH3)3] that has been characterised and studied on the base of its solvoluminescence behaviour.

A theoretical study of aromaticity in 1,2-diaza and 1,2-diphospha-cyclooctatetraenes and their role as ligands in organometallic compounds

2006 ◽  
Vol 758 (1) ◽  
pp. 49-52 ◽  
Author(s):  
Roberto Salcedo ◽  
Ana Martínez ◽  
Patricia Guadarrama ◽  
Carlos Olvera ◽  
L. Enrique Sansores
Keyword(s):  
Theoretical Study ◽  
Organometallic Compounds

scholarly journals Concentration Effect over Thermoresponse Derived from Organometallic Compounds of Functionalized Poly(N-isopropylacrylamide-co-dopamine Methacrylamide)

Polymers ◽  
2021 ◽  
Vol 13 (22) ◽  
pp. 3921
Author(s):  
María Moral-Zamorano ◽  
Isabel Quijada-Garrido ◽  
Verónica San-Miguel ◽  
Berna Serrano ◽  
Juan Baselga ◽  
...  
Keyword(s):  
Hydrophobic Interactions ◽  
Chemical Properties ◽  
Organometallic Compounds ◽  
Drug Carriers ◽  
Organometallic Complexes ◽  
Concentration Effect ◽  
Solution Temperature ◽  
Organometallic Complex ◽  
Vis Spectroscopy ◽  
Clear Idea

The functionalization of smart polymers is opening a new perspective in catalysis, drug carriers and biosensors, due to the fact that they can modulate the response regarding conventional devices. This smart response could be affected by the presence of organometallic complexes in terms of interactions which could affect the physical chemical properties. In this sense, the thermoresponsive behavior of copolymers based on N-isopropylacrylamide (NIPAM) could be affected due to the presence of hydrophobic groups and concentration effect. In this work, the functionalization of a copolymer based on NIPAM and dopamine methacrylamide with different amounts of bis(cyclopentadienyl)titanium (IV) dichloride was carried out. The resulting materials were characterized, showing a clear idea about the mechanism of functionalization through FTIR spectroscopy. The thermoresponsive behavior was also studied for various polymeric solutions in water by UV–vis spectroscopy and calorimetry. The hydrophobic interactions promoted by the organometallic complex could affect the transition associated with the lower critical solution temperature (LCST), specifically, the segments composed by pure NIPAM. That fact would explain the reduction of the width of the LCST-transition, contrary to what could be expected. In addition, the hydrophobicity was tested by the contact angle and also DNA interactions.

The mercury-mercury bond in inorganic and organometallic compounds. A theoretical study

1993 ◽  
Vol 213 (1-2) ◽  
pp. 233-246 ◽  
Author(s):  
Peter Schwerdtfeger ◽  
Peter D.W. Boyd ◽  
Stephane Brienne ◽  
John S. McFeaters ◽  
Michael Dolg ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Organometallic Compounds

Theoretical study of silsesquioxane organometallic complex structure and IR spectrum. II Interpretation of the IR spectrum

1998 ◽  
Vol 443 (1-3) ◽  
pp. 89-106 ◽  
Author(s):  
I.E. Davidova ◽  
L.A. Gribov ◽  
I.V. Maslov ◽  
V. Dufaud ◽  
G.P. Niccolai ◽  
...  
Keyword(s):  
Ir Spectrum ◽  
Theoretical Study ◽  
Complex Structure ◽  
Organometallic Complex

The first ReI organometallic complex with an organoimido-polyoxometalate ligand

2017 ◽  
Vol 46 (26) ◽  
pp. 8611-8620 ◽  
Author(s):  
Patricio Hermosilla-Ibáñez ◽  
Kerry Wrighton-Araneda ◽  
Gaspar Prado ◽  
Verónica Paredes-García ◽  
Nancy Pizarro ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Organometallic Complex

An electrochemical, spectroscopic and theoretical study of the first ReI complex with a hybrid organoimido-polyoxometalate ligand is presented.

scholarly journals Alternate layer by layered self assembly of conjugated and unconjugated Salen based nanowires as capacitive pseudo supercapacitor

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Mohammad Mahdi Doroodmand ◽  
Sina Owji
Keyword(s):  
Self Assembly ◽  
Electrochemical Impedance ◽  
Supporting Electrolyte ◽  
Organometallic Compounds ◽  
Electrode System ◽  
Discharge Process ◽  
Organometallic Complex ◽  
Counter Electrodes ◽  
Acetone Water ◽  
Alternate Layer

AbstractA novel electrosynthetic method has been introduced based on alternate layer-by-layered self-assembly of conjugated/unconjugated Salen-based nanowires as a capacitive pseudo-supercapacitor. For this purpose, a three-electrode system consisted of a glassy carbon (GC), Ag/AgCl (Sat’d Cl−) and a Pt rod as working, reference, and counter electrodes, respectively. The electrolyte included the same molar concentration (0.040 mol L−1) of each Salen monomer (as initial precursor), and KCl solution (as supporting electrolyte), besides using KOH solution (0.01 mol L−1, as basic-controlling reagent) inside acetone/water (4:1, V/V) as a solvent. The formation of this self-assembly nanowire was attributed to the control of the electrical conductivity of this polymer during formation of an organometallic complex with K+ as responsible complex forming agent. This novel nanowire then played role as a capacitive pseudo-supercapacitor. Based on the chrono—potentiometry, reproducible charge/discharge process for at least 5000 cycles was observed at a potential between − 2.00 and + 1.75 V (vs. Ag/AgCl). The capacity behavior of the polymer was also evidenced using electrochemical impedance spectroscopy. This synthesized polymeric nanowire was adopted as the acceptable pseudo-supercapacitor with real capacity equals to 3110 ± 6 (n = 3) C g−1. This study was considered as the first report at which the self—assembly of organometallic compounds as an efficient pseudo—supercapacitor was introduced.

scholarly journals A Comprehensive Experimental and Theoretical Study on the [{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}2O Crystalline System

Molecules ◽  
2021 ◽  
Vol 26 (23) ◽  
pp. 7282
Author(s):  
Agnieszka Łapczuk-Krygier ◽  
Katarzyna Kazimierczuk ◽  
Jerzy Pikies ◽  
Mar Ríos-Gutiérrez
Keyword(s):  
Quantum Chemical ◽  
Theoretical Study ◽  
Organometallic Complex ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Covalent Bonds ◽  
X Ray ◽  
Chemical Topology ◽  
Quantum Chemical Topology ◽  
Crystalline System

The structure of tetraphosphetane zirconium complex C52H100N8OP10Zr2 1 was determined by single crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c, with a = 19.6452(14), b = 17.8701(12), c = 20.7963(14)Å, α = γ = 90°, β = 112.953(7)°, V = 6722.7(8)Å3, Z = 4. The electronic structure of the organometallic complex has been characterized within the framework of Quantum Chemical Topology. The topology of the Electron Localization Function (ELF) and the electron density according to the Quantum Theory of Atoms in Molecules (QTAIM) show no covalent bonds involving the Zr atom, but rather dative, coordinate interactions between the metal and the ligands. This is the first reported case of a Zr complex stabilized by an oxide anion, anionic cyclopentadienyl ligands and rare tetraphosphetane anions.

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