Franck–Condon simulation of the A 1B2 → X 1A1 dispersed fluorescence spectrum of fluorobenzene and its rate of the internal conversion

2011 ◽  
Vol 134 (9) ◽  
pp. 094313 ◽  
Author(s):  
Rongxing He ◽  
Ling Yang ◽  
Chaoyuan Zhu ◽  
Masahiro Yamaki ◽  
Yuan-Pern Lee ◽  
...  
Keyword(s):  
Fluorescence Spectrum ◽  
Internal Conversion ◽  
Dispersed Fluorescence ◽  
Franck Condon

The dispersed fluorescence spectrum of NaAr: Ground and excited state potential curves

1979 ◽  
Vol 71 (3) ◽  
pp. 1283-1291 ◽  
Author(s):  
Joel Tellinghuisen ◽  
Anthony Ragone ◽  
Myung Soo Kim ◽  
Daniel J. Auerbach ◽  
Richard E. Smalley ◽  
...  
Keyword(s):  
Excited State ◽  
Fluorescence Spectrum ◽  
Dispersed Fluorescence ◽  
State Potential ◽  
Potential Curves

Anomalous simplicity of the à → X dispersed fluorescence spectrum of 13C2H2

2001 ◽  
Vol 565-566 ◽  
pp. 87-91
Author(s):  
M.L Silva ◽  
M.P Jacobson ◽  
Z Duan ◽  
R.W Field
Keyword(s):  
Fluorescence Spectrum ◽  
Dispersed Fluorescence

Internal conversion in aromatic and N-heteroaromatic molecules

1965 ◽  
Vol 18 (10) ◽  
pp. 1589 ◽  
Author(s):  
JP Byrne ◽  
EF McCoy ◽  
IG Ross
Keyword(s):  
Theoretical Basis ◽  
Internal Conversion ◽  
Empirical Approach ◽  
Bending Vibrations ◽  
Condon Factor ◽  
Aromatic Molecules ◽  
Condon Factors ◽  
Semi Empirical ◽  
Franck Condon

A previous semi-empirical approach to the calculation of the rate of internal conversion, regarded as a tunnelling process, is reformulated on a sounder theoretical basis. Following Robinson and Frosch, tunnelling rates are correlated with Franck-Condon factors for the associated transition. The total Franck-Condon factor, S2max, is a product of three terms, associated respectively with skeletal stretching, CH stretching, and skeletal angle bending vibrations. The value of S2max may be controlled by one term only of the product, or by two or more (mixed tunnelling). Tunnelling rates should be slowed down by deuteration only when CH vibrations participate significantly; specific predictions are made here. Skeletal-angle bending vibrations are of negligible importance in internal conversion in aromatic molecules, but they are very significant in transitions between states of π,π* and n,π* type in heteroaromatics. Correlation between S2max and estimated tunnelling rates is encouraging for four aromatic molecules and certain monocyclic azines; but the failure of pyridine and pyridazine to show luminescence is still unexplained. The case of pyrazine is discussed in detail.

The geometry relaxation and photodeactivation from the S2 state of dibenzofuran studied by ultrafast spectroscopy

2020 ◽  
Vol 234 (7-9) ◽  
pp. 1495-1506 ◽  
Author(s):  
Lian Wang ◽  
Song Zhang ◽  
Ye Wang ◽  
Bing Zhang
Keyword(s):  
Excited State ◽  
Internal Conversion ◽  
Transient Absorption ◽  
Excited State Absorption ◽  
Transient Absorption Spectroscopy ◽  
Femtosecond Transient Absorption ◽  
Pharmaceutically Active Compound ◽  
S2 State ◽  
Franck Condon ◽  
T State

AbstractDibenzofuran (DBF) has attracted much attention from scientists recently since it is applied as a photoluminescence material and pharmaceutically active compound. Since the polychlorinated derivatives are highly toxic and manifest photostability in the environment. Femtosecond transient absorption spectroscopy associated with quantum chemical calculations are employed to investigate the ultrafast excited state dynamics of dibenzofuran from the S2 state in 1,4-dioxane and ethanol, respectively. Following excitation at a wavelength of 266 nm, the S2 state is firstly populated in the Franck–Condon region and preserves the planar molecular structure of the ground state. The observed increase of the transient absorption spectra of the excited state within the first several picoseconds indicates a geometry relaxation occurring on the S2 potential energy surface. The subsequent kinetic traces of excited state absorption show that the S2 state in the adiabatic region decays to the S1 state through a fast internal conversion, followed by intersystem crossing to the T1 state with a decay time of tens and hundreds of picoseconds in ethanol and 1,4-dioxane, respectively. Finally, the deactivation processes from the S1 or T state are slow and take place on a time scale of about 20 ns.

scholarly journals ASSIGNING THE COMPLICATED DISPERSED FLUORESCENCE SPECTRUM OF PhCCCN

2021 ◽  
Author(s):  
James Thorpe ◽  
John Stanton ◽  
Timothy Zwier ◽  
Khadija Jawad
Keyword(s):  
Fluorescence Spectrum ◽  
Dispersed Fluorescence

Dispersed fluorescence spectrum of the HC35ClÖX̃ vibronic transition

2001 ◽  
Vol 347 (1-3) ◽  
pp. 73-78 ◽  
Author(s):  
Chun-Wei Chen ◽  
Tsung-Chuan Tsai ◽  
Bor-Chen Chang
Keyword(s):  
Fluorescence Spectrum ◽  
Vibronic Transition ◽  
Dispersed Fluorescence

scholarly journals First-principles method for calculating the rate constants of internal-conversion and intersystem-crossing transitions

2018 ◽  
Vol 20 (9) ◽  
pp. 6121-6133 ◽  
Author(s):  
R. R. Valiev ◽  
V. N. Cherepanov ◽  
G. V. Baryshnikov ◽  
D. Sundholm
Keyword(s):  
Rate Constants ◽  
First Principles ◽  
Internal Conversion ◽  
Intersystem Crossing ◽  
Franck Condon ◽  
First Principles Method

A method for calculating the rate constants for internal-conversion (kIC) and intersystem-crossing (kISC) processes within the adiabatic and Franck–Condon (FC) approximations is proposed.

The infrared-ultraviolet dispersed fluorescence spectrum of acetylene: New classes of bright states

2001 ◽  
Vol 114 (17) ◽  
pp. 7424-7442 ◽  
Author(s):  
Kennosuke Hoshina ◽  
Atsushi Iwasaki ◽  
Kaoru Yamanouchi ◽  
Matthew P. Jacobson ◽  
Robert W. Field
Keyword(s):  
Fluorescence Spectrum ◽  
Dispersed Fluorescence
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