Intramolecular energy transfer between ligand field excited states in a bimetallic system

1983 ◽  
Vol 22 (26) ◽  
pp. 3851-3855 ◽  
Author(s):  
N. A. P. Kane-Maguire ◽  
M. M. Allen ◽  
J. M. Vaught ◽  
J. S. Hallock ◽  
A. L. Heatherington
Keyword(s):  
Energy Transfer ◽  
Excited States ◽  
Ligand Field ◽  
Intramolecular Energy Transfer ◽  
Bimetallic System

ChemInform Abstract: INTRAMOLECULAR ENERGY TRANSFER BETWEEN LIGAND FIELD EXCITED STATES IN A BIMETALLIC SYSTEM

1984 ◽  
Vol 15 (13) ◽  
Author(s):  
N. A. P. KANE-MAGUIRE ◽  
M. M. ALLEN ◽  
J. M. VAUGHT ◽  
J. S. HALLOCK ◽  
A. L. HEATHERINGTON
Keyword(s):  
Energy Transfer ◽  
Excited States ◽  
Ligand Field ◽  
Intramolecular Energy Transfer ◽  
Bimetallic System

pH Control of Intramolecular Energy Transfer and Oxygen Quenching in Ru(II) Complexes Having Coupled Electronic Excited States

2012 ◽  
Vol 134 (17) ◽  
pp. 7497-7506 ◽  
Author(s):  
Tod A. Grusenmeyer ◽  
Jin Chen ◽  
Yuhuan Jin ◽  
Jonathan Nguyen ◽  
Jeffrey J. Rack ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Excited States ◽  
Ph Control ◽  
Intramolecular Energy Transfer ◽  
Oxygen Quenching ◽  
Electronic Excited States

The Character of Low-Lying Excited States of Mixed-Ligand Metal Carbonyls. TD-DFT and CASSCF/CASPT2 Study of [W(CO)4L] (L = ethylenediamine, N,N'-dialkyl-1,4-diazabutadiene) and [W(CO)5L] (L = pyridine, 4-cyanopyridine)

2003 ◽  
Vol 68 (1) ◽  
pp. 89-104 ◽  
Author(s):  
Stanislav Záliš ◽  
Antonín Vlček ◽  
Chantal Daniel
Keyword(s):  
Excited States ◽  
Substitution Effect ◽  
Electronic Transitions ◽  
Ligand Field ◽  
Metal Carbonyls ◽  
Electron Density Redistribution ◽  
Time Resolved ◽  
Model Complex ◽  
Td Dft ◽  
Time Resolved Infrared Spectroscopy

This contribution presents the results of the TD-DFT and CASSCF/CASPT2 calculations on [W(CO)4(MeDAB)] (MeDAB = N,N'-dimethyl-1,4-diazabutadiene), [W(CO)4(en)] (en = ethylenediamine), [W(CO)5(py)] (py = pyridine) and [W(CO)5(CNpy)] (CNpy = 4-cyanopyridine) complexes. Contrary to the textbook interpretation, calculations on the model complex [W(CO)4(MeDAB)] and [W(CO)5(CNpy)] show that the lowest W→MeDAB and W→CNpy MLCT excited states are immediately followed in energy by several W→CO MLCT states, instead of ligand-field (LF) states. The lowest-lying excited states of [W(CO)4(en)] system were characterized as W(COeq)2→COax CT excitations, which involve a remarkable electron density redistribution between axial and equatorial CO ligands. [W(CO)5(py)] possesses closely-lying W→CO and W→py MLCT excited states. The calculated energies of these states are sensitive to the computational methodology used and can be easily influenced by a substitution effect. The calculated shifts of [W(CO)4(en)] stretching CO frequencies due to excitation are in agreement with picosecond time-resolved infrared spectroscopy experiments and confirm the occurrence of low-lying M→CO MLCT transitions. No LF electronic transitions were found for either of the complexes studied in the region up to 4 eV.

Delocalized Excitation or Intramolecular Energy Transfer in Pyrene Core Dendrimers

2021 ◽  
pp. 7717-7725
Author(s):  
Dayujia Huo ◽  
Minjie Li ◽  
Zujin Zhao ◽  
Xian Wang ◽  
Andong Xia ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Intramolecular Energy Transfer

A ligand field theory-based methodology for the characterization of the Eu 2+ [Xe]4f 6 5d 1 excited states in solid state compounds

2015 ◽  
Vol 622 ◽  
pp. 120-123 ◽  
Author(s):  
Amador García-Fuente ◽  
Fanica Cimpoesu ◽  
Harry Ramanantoanina ◽  
Benjamin Herden ◽  
Claude Daul ◽  
...  
Keyword(s):  
Field Theory ◽  
Solid State ◽  
Excited States ◽  
Ligand Field ◽  
Ligand Field Theory ◽  
The Eu
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