scholarly journals Theoretical study on the excited state decay properties of iron(ii) polypyridine complexes substituted by bromine and chlorine

RSC Advances ◽  
2019 ◽  
Vol 9 (54) ◽  
pp. 31621-31627 ◽  
Author(s):  
Yuan Li ◽  
Xue-Wen Fan ◽  
Jie Chen ◽  
Fu-Quan Bai ◽  
Hong-Xing Zhang
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Density Functional ◽  
Theoretical Study ◽  
Time Dependent ◽  
Functional Theory ◽  
Polypyridyl Complexes ◽  
Decay Properties ◽  
Polypyridine Complexes ◽  
Dependent Density

Transition metal iron(ii) halogen substituted polypyridyl complexes with quintet ground states were deeply investigated by density functional theory (DFT) and time-dependent density functional theory (TDDFT).

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.

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