Synthesis, Structure, Optical Properties and Theoretical Studies of Pt(P−P)(CN)2with P−P = 1,2-Bis(diphenylphosphanyl)benzene and 2,2′-Bis(diphenylphosphanyl)-1,1′-binaphthyl − Luminescence from Metal-to-Ligand Charge Transfer and Intraligand States

2004 ◽  
Vol 2004 (21) ◽  
pp. 4242-4246 ◽  
Author(s):  
Valeri Pawlowski ◽  
Horst Kunkely ◽  
Christian Lennartz ◽  
Karlheinz Böhn ◽  
Arnd Vogler
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Theoretical Studies ◽  
Ligand Charge Transfer

Structural characterization, optical properties and photocatalytic activity of MOF-5 and its hydrolysis products: implications on their excitation mechanism

RSC Advances ◽  
2015 ◽  
Vol 5 (89) ◽  
pp. 73112-73118 ◽  
Author(s):  
N. A. Rodríguez ◽  
R. Parra ◽  
M. A. Grela
Keyword(s):  
Optical Properties ◽  
Photocatalytic Activity ◽  
Charge Transfer ◽  
Structural Characterization ◽  
Excitation Mechanism ◽  
Hydrolysis Products ◽  
Ligand Charge Transfer ◽  
Photochemical Properties ◽  
Hydrolysis Of

Hydrolysis of MOF-5 gives place to a mixture of two compounds: MOF-5W and zinc terephthalate dihydrate. The analysis of optical and photochemical properties allows to infer the preeminence of a ligand to ligand charge-transfer.

Metal-to-Ligand Charge Transfer Excited States in π-Conjugated Systems

2001 ◽  
Vol 665 ◽  
Author(s):  
Yiting Li ◽  
C. Ed Whittle ◽  
Keith A. Walters ◽  
Kevin D. Ley ◽  
Kirk S. Schanze
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Excited States ◽  
Transition Metal Complexes ◽  
Transient Absorption ◽  
Photophysical Properties ◽  
Transient Absorption Spectroscopy ◽  
Conjugated Oligomers ◽  
Conjugated Systems ◽  
Ligand Charge Transfer

ABSTRACTThis paper overviews recent work that examined the optical properties of mono-disperse, PPE-based π-conjugated oligomers that contain a 2,2-bipyridine-5,5'-diyl metal coordinating unit. The photophysical properties of the free oligomers and metallated oligomers that contain the -Ru(bpy)22+ and -Re(CO)3Cl transition metal complexes coordinated to the bpy-diyl unit have been characterized by absorption, photoluminescence and transient absorption spectroscopy. In addition, we report the photophysics of a novel organometallic “square” that features “sides” consisting of a PPE-type π-conjugated oligomer and “corners” that consist of (dbubpy)PtII(acetylide)2 units (where dbubpy = 4,4'-di-tert-butyl-2,2'-bipyridine).

Synthesis of transition-metal-containing poly(pyrazabole)s

2006 ◽  
Vol 78 (7) ◽  
pp. 1407-1411 ◽  
Author(s):  
Fukashi Matsumoto ◽  
Yoshiki Chujo
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Transition Metal ◽  
Transition Metals ◽  
Emission Spectrum ◽  
Main Chain ◽  
Vibronic Structure ◽  
Ligand Charge Transfer ◽  
Coupling Polymerization

Novel organoboron polymers containing transition metals (Ni, Pd, Pt) and pyrazaboles in the main chain were prepared by Cu-catalyzed coupling polymerization. The Ni- and Pt-containing polymers showed MLCT (metal-to-ligand charge transfer) absorption, whereas the Pd-containing polymer did not demonstrate the absorption. Only the Pd-containing polymer exhibited the emission spectrum with a vibronic structure. These differences in the optical properties were studied in detail.

scholarly journals Theoretical Studies of Reactivity Descriptors, Electronic and Nonlinear Optical Properties of Multifunctionalized Fullerene Ylide With Acetylsalicylic Acid.

2021 ◽  
Author(s):  
Christian Aimé Njeumen ◽  
Geh Wilson Ejuh ◽  
Yannick Tadjouteu Assatse ◽  
Richard Arnaud Yossa Kamsi ◽  
Jean Marie Bienvenu Ndjaka
Keyword(s):  
Experimental Data ◽  
Optical Properties ◽  
Charge Transfer ◽  
Dft Calculations ◽  
Acetylsalicylic Acid ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
Theoretical Studies ◽  
Vibrational Modes ◽  
Reactivity Descriptors

Abstract DFT calculations were performed to study the nanostructures obtained by the multifunctionalization of one and two acetylsalicylic acid radicals on fullerene ylide. The increase in the number of aspirin molecules functionalized on fullerene ylide increases the energy stability of the formed nanostructures. The analysis of the vibrational spectra of these nanostructures shows that the formed systems are stable and present some vibrational modes in accordance with the experimental data. The degree of solubility and polarity of these nanostructures increases with the number of functionalized molecules. Multifunctionalization considerably improves the nonlinear optical properties of the modeled nanostructures. With functionalization of isolated aspirin molecule, the electronic properties are very improved, not too much passing to multifunctionalization. The formed nanostructures are soft, more electrophilic and more reactive than the aspirin molecule, but with multifunctionalization the charge transfer decreases.

Synthesis and Study of Novel Benzothiazole Derivatives with Potential Nonlinear Optical Properties

2007 ◽  
Vol 72 (8) ◽  
pp. 1069-1093 ◽  
Author(s):  
Ivica Sigmundová ◽  
Pavol Zahradník ◽  
Dušan Loos
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Nonlinear Optical ◽  
Intramolecular Charge Transfer ◽  
Theoretical Studies ◽  
Chemical Parameters ◽  
Benzothiazole Derivatives ◽  
Physico Chemical ◽  
Acceptor Group ◽  
Pull Systems

The synthesis of new benzothiazole push-pull systems as candidates for NLO-phores is described. Spectral (UV/VIS and solvatochromic) and theoretical studies (electronic properties based on semiempirical AM1 and PM3 methods) of the prepared compounds were carried out. The structure and physico-chemical parameters affecting the push-pull character and intramolecular charge transfer (ICT) of the studied compounds have been investigated and compounds with enhanced hyperpolarizability β have been predicted. The benzothiazolium salts were found to be much more effective NLO-phores in comparison with the corresponding neutral benzothiazoles. The 4-NPh2 group is the most effective donor. The extension of conjugated bridge improves the studied NLO characteristics. An additional acceptor group bonded to the heterocycle causes a red shift of λmax but does not increase hyperpolarizability.

Synthesis and Photochemical Properties of Re(I) Tricarbonyl Complexes Bound to Thione and Thiazole-2-ylidene Ligands

2020 ◽  
Author(s):  
Matthew Stout ◽  
Brian Skelton ◽  
Alexandre N. Sobolev ◽  
Paolo Raiteri ◽  
Massimiliano Massi ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Ligand Exchange ◽  
Ligand Substitution ◽  
Bidentate Ligand ◽  
The Other ◽  
Ligand Exchange Reaction ◽  
Multiple Products ◽  
Ligand Charge Transfer ◽  
Photochemical Properties

<p>Three Re(I) tricarbonyl complexes, with general formulation Re(N^L)(CO)<sub>3</sub>X (where N^L is a bidentate ligand containing a pyridine functionalized in the position 2 with a thione or a thiazol-2-ylidene group and X is either chloro or bromo) were synthesized and their reactivity explored in terms of solvent-dependent ligand substitution, both in the ground and excited states. When dissolved in acetonitrile, the complexes bound to the thione ligand underwent ligand exchange with the solvent resulting in the formation of Re(NCMe)<sub>2</sub>(CO)<sub>3</sub>X. The exchange was found to be reversible, and the starting complex was reformed upon removal of the solvent. On the other hand, the complexes appeared inert in dichloromethane or acetone. Conversely, the complex bound to the thiazole-2-ylidene ligand did not display any ligand exchange reaction in the dark, but underwent photoactivated ligand substitution when excited to its lowest metal-to-ligand charge transfer manifold. Photolysis of this complex in acetonitrile generated multiple products, including Re(I) tricarbonyl and dicarbonyl solvato-complexes as well as free thiazole-2-ylidene ligand.</p>

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