Effect of deprotonation on absorption and emission spectra of Ru(II)-bpy complexes functionalized with carboxyl groups
- Author
- BADAEVA, Ekaterina2 3 ; ALBERT, Victor V1 2 ; KILINA, Svetlana2 ; KOPOSOV, Alexey4 ; SYKORA, Milan4 ; TRETIAK, Sergei2
[1] Quantum Theory Project, Departments of Chemistry and Physics, University of Florida, Gainesville FL 32611, United States
[2] Theoretical Division, Center for Nonlinear Studies (CNLS), and Center for Integrated Nanotechnologies (CINT), Los Alamos National Laboratory, United States
[3] University of Washington, Seattle, WA 98195, United States
[4] Chemistry Division, C-PCS, Los Alamos National Laboratory, Los Alamos, NM 87545, United States - Source
PCCP. Physical chemistry chemical physics (Print). 2010, Vol 12, Num 31, pp 8902-8913, 12 p ; ref : 65 ref
- Publisher
- Royal Society of Chemistry, Cambridge
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Calcul Complexe Déprotonation Electron Energie Etat excité Etat fondamental Etat triplet Etude théorique Fonction onde Fonctionnalisation Fonctionnelle densité Forme protonée Groupe carboxyle Groupe méthyle Méthode fonctionnelle densité Orbitale Phosphorescence Solvatochromisme Spectre absorption Spectre émission Spectrométrie absorption Stabilisation Structure électronique Surface énergie potentielle Transfert charge Transition optique 2,2p-Bipyridyle 3115E
- Keyword (en)
- Calculation Complexes Deprotonation Electrons Energy Excited state Ground state Triplet state Theoretical study Wave function Functionalization Density functional Protonated form Carboxyl group Methyl group Density functional method Orbital Phosphorescence Solvatochromism Absorption spectrum Emission spectrum Absorption spectrometry Stabilization Electronic structure Potential energy surfaces Charge transfer Optical transition
- Keyword (es)
- Cálculo Complejo Desprotonación Electrón Energía Estado excitado Estado fundamental Estado triplete Estudio teórico Función onda Funciónalización Funciónal densidad Forma protonada Grupo carboxilo Grupo metilo Orbital Fosforescencia Solvatocromismo Espectro de absorción Espectro emisión Espectrometría absorción Estabilización Estructura electrónica Transferencia carga Transición óptica
- Classification
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 23099087
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1039/b924910a 
https://dx.doi.org/10.1039/b924910a
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