Molecular and Electronic Structure in the Metal-to-Ligand Charge Transfer Excited States offac-[Re(4,4‘-X2bpy)(CO)3(4-Etpy)]+* (X = CH3, H, Co2Et). Application of Density Functional Theory and Time-Resolved Infrared Spectroscopy

2004 ◽  
Vol 108 (16) ◽  
pp. 3518-3526 ◽  
Author(s):  
Dana M. Dattelbaum ◽  
Richard L. Martin ◽  
Jon R. Schoonover ◽  
Thomas J. Meyer
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Infrared Spectroscopy ◽  
Excited States ◽  
Density Functional ◽  
Functional Theory ◽  
Time Resolved ◽  
Ligand Charge Transfer ◽  
Time Resolved Infrared Spectroscopy ◽  
Molecular And Electronic Structure

The triplet state of a platinum acetylide chromophore examined by time-resolved infrared spectroscopy and density functional theory

2004 ◽  
Vol 400 (1-3) ◽  
pp. 239-244 ◽  
Author(s):  
Thomas M. Cooper ◽  
Jean-Philippe Blaudeau ◽  
Benjamin C. Hall ◽  
Joy E. Rogers ◽  
Daniel G. McLean ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Infrared Spectroscopy ◽  
Triplet State ◽  
Density Functional ◽  
Functional Theory ◽  
Time Resolved ◽  
Time Resolved Infrared Spectroscopy

scholarly journals Picosecond time-resolved infrared spectroscopy of rhodium and iridium azides

2014 ◽  
Vol 43 (47) ◽  
pp. 17694-17702 ◽  
Author(s):  
Peter Portius ◽  
Anthony J. H. M. Meijer ◽  
Michael Towrie ◽  
Benjamin F. Crozier ◽  
Ingrid Schiager
Keyword(s):  
Density Functional Theory ◽  
Infrared Spectroscopy ◽  
Transition Metal ◽  
Density Functional ◽  
Laser Excitation ◽  
Functional Theory ◽  
Time Resolved ◽  
Photochemical Processes ◽  
Time Resolved Infrared Spectroscopy

Ultrafast photochemical processes induced in the transition metal azido complexes Rh(Cp*)(N3)2(PPh3) and Ir(Cp*)(N3)2(PPh3) upon laser excitation at 266 nm and 400 nm were elucidated by picosecond time-resolved infrared spectroscopy and density functional theory.

Application of Time-Resolved Infrared Spectroscopy to Electronic Structure in Metal-to-Ligand Charge-Transfer Excited States

2002 ◽  
Vol 41 (23) ◽  
pp. 6071-6079 ◽  
Author(s):  
Dana M. Dattelbaum ◽  
Kristin M. Omberg ◽  
Jon R. Schoonover ◽  
Richard L. Martin ◽  
Thomas J. Meyer
Keyword(s):  
Electronic Structure ◽  
Infrared Spectroscopy ◽  
Charge Transfer ◽  
Excited States ◽  
Time Resolved ◽  
Ligand Charge Transfer ◽  
Time Resolved Infrared Spectroscopy

scholarly journals Ground- and excited-state characteristics in photovoltaic polymer N2200

RSC Advances ◽  
2021 ◽  
Author(s):  
Guanzhao Wen ◽  
Xianshao Zou ◽  
Rong Hu ◽  
Jun Peng ◽  
Zhifeng Chen ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Steady State ◽  
Excited States ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Time Dependent ◽  
Functional Theory ◽  
Time Resolved ◽  
Dependent Density

Ground- and excited-states properties of N2200 have been studied by steady-state and time-resolved spectroscopies as well as time-dependent density functional theory calculations.

scholarly journals A combined time-resolved infrared and density functional theory study of the lowest excited states of 9-fluorenone and 2-naphthaldehyde

2018 ◽  
Vol 512 ◽  
pp. 44-52 ◽  
Author(s):  
Magnus W.D. Hanson-Heine ◽  
James A. Calladine ◽  
Jixin Yang ◽  
Michael Towrie ◽  
Raphael Horvath ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Excited States ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Time Resolved
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