Photobehaviour of di(phenylbutadienyl)arenes containing nitrogen and sulfur heteroatomsElectronic supplementary information (ESI) available: calculated electronic spectra (transition energy and oscillator strength) and heats of formation in the ground state of the elongated and compressed conformations of the investigated compounds. See http://www.rsc.org/suppdata/pp/b3/b309267d/

2004 ◽  
Vol 3 (2) ◽  
pp. 205 ◽  
Author(s):  
Elena Marri ◽  
Guido Galiazzo ◽  
Anna Spalletti
Keyword(s):  
Oscillator Strength ◽  
Ground State ◽  
Electronic Spectra ◽  
Transition Energy ◽  
Heats Of Formation ◽  
Supplementary Information

scholarly journals Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates

2018 ◽  
Vol 207 ◽  
pp. 233-250 ◽  
Author(s):  
Javier Segarra-Martí ◽  
Vishal K. Jaiswal ◽  
Ana Julieta Pepino ◽  
Angelo Giussani ◽  
Artur Nenov ◽  
...  
Keyword(s):  
Nucleic Acid ◽  
Ground State ◽  
Electronic Spectra ◽  
Crucial Role ◽  
Electronic Spectroscopy ◽  
Two Dimensional ◽  
Molecular Conformations ◽  
Computational Strategy

A computational strategy to simulate two-dimensional electronic spectra (2DES) is introduced, which allows characterising ground state conformations of flexible nucleobase aggregates that play a crucial role in nucleic acid photochemistry.

Dipole oscillator strength distributions and properties for SO2, CS2, and OCS

1985 ◽  
Vol 63 (3) ◽  
pp. 417-427 ◽  
Author(s):  
Ashok Kumar ◽  
William J. Meath
Keyword(s):  
Oscillator Strength ◽  
Cross Sections ◽  
Ground State ◽  
Strength Properties ◽  
Oscillator Strengths ◽  
Sum Rule ◽  
Strength Data ◽  
Dilute Gases ◽  
Dipole Oscillator ◽  
Strength Distributions

Dipole oscillator strength distributions have been constructed and used to evaluate integrated oscillator strengths, and a variety of dipole oscillator strength properties, for ground state SO2, CS2, and OCS. Each distribution has been constructed by using experimental and theoretical photoabsorption cross sections and by subjecting the resulting dipole oscillator strength data to constraints provided by the Thomas–Reiche–Kuhn sum rule and molar refractivity data for the relevant dilute gases. The discussion includes graphical presentations of how various spectral regions of the dipole oscillator strength distributions contribute to the more important dipole properties.

The electronic spectra of phenyl radicals

1965 ◽  
Vol 287 (1411) ◽  
pp. 457-470 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Ground State ◽  
Electronic Spectra ◽  
Flash Photolysis ◽  
Visible Region ◽  
Electronic Configuration ◽  
Vibrational Structure ◽  
Fundamental Frequencies

An electronic absorption spectrum, attributed to phenyl, has been observed in the visible region with origin at 18 908 cm -1 after flash photolysis of benzene and halogenobenzenes. Similar spectra of fluoro, chloro and bromo phenyl are observed after flash photolysis of disubstituted benzenes. The vibrational structure of the phenyl spectrum has been analysed in terms of two fundamental frequencies at 571 and 896 cm -1 which correspond to the e 2 g and a 1 g frequencies of the B 2 u state of benzene. The ground state of phenyl has a π 6 n electronic configuration and the observed transition is interpreted as 2 A 1 → 2 B 1 resulting from a π → n excitation.

THE RESONANCE ESCAPE FACTOR AND DENSITY SPATIAL DISTRIBUTION OF Li 670.970 nm RESONANCE LINES

2009 ◽  
Vol 23 (09) ◽  
pp. 1189-1197 ◽  
Author(s):  
JIAN HE ◽  
QINGGUO ZHANG ◽  
QINGDONG CHEN
Keyword(s):  
Spatial Distribution ◽  
Oscillator Strength ◽  
Optical Depth ◽  
Ground State ◽  
Resonance Absorption ◽  
Experimental Results ◽  
Line Center ◽  
Number Density ◽  
Escape Factor ◽  
Good Agreement

In this letter, the resonance escape factors and spatial distribution of three resonance absorption lines that making up the Li 670.970 nm line are discussed theoretically, for both Lorentzian and Voigt profiles. The oscillator strength, the number density of the absorbing atoms in the ground state, and the optical depth in the line center are discussed also in the calculation. The results we calculated are in good agreement with the experimental results. This calculation will be significant in the research of plasma Li atom.

Dipole oscillator strength distributions and related properties for ethylene, propene and 1-butene

1983 ◽  
Vol 61 (7) ◽  
pp. 1027-1034 ◽  
Author(s):  
B. L. Jhanwar ◽  
William J. Meath ◽  
J. C. F. MacDonald
Keyword(s):  
Oscillator Strength ◽  
Cross Sections ◽  
Ground State ◽  
Oscillator Strengths ◽  
Detailed Model ◽  
Sum Rule ◽  
Strength Data ◽  
Dilute Gases ◽  
Dipole Oscillator ◽  
Strength Distributions

Dipole oscillator strength distributions (DOSDs) have been constructed for ground state ethylene, propene, and 1-butene. Each DOSD is constructed by using available experimental and theoretical photoabsorption cross sections and by constraining the resulting dipole oscillator strength data to satisfy the Thomas – Reiche–Kuhn sum rule and molar refractivity constraints. The latter were obtained from experimental refractive index measurements of relevant dilute gases. The recommended DOSDs, and the values of integrated "band" oscillator strengths, and the dipole oscillator strength sums Sk and Lk (for a variety of k values) obtained from them, are reported. The discussion includes an analysis of the reliability of the results using 1-butene as a detailed model.

Thiophosgene monomer–dimer equilibria in perfluoroalkane solutions: spectroscopic and photophysical implications of self-association in the ground state

1993 ◽  
Vol 71 (10) ◽  
pp. 1548-1555 ◽  
Author(s):  
Andrzej Maciejewski ◽  
Marian Szymanski ◽  
Ronald P. Steer
Keyword(s):  
Absorption Spectrum ◽  
Oscillator Strength ◽  
Absorption Spectra ◽  
Strong Evidence ◽  
Ground State ◽  
Excitation Spectra ◽  
Direct Excitation ◽  
Self Association ◽  
Single Formula ◽  
Self Aggregation

The S2–S0 absorption, emission, and emission excitation spectra of thiophosgene in a perfluoroalkane solvent have been measured as a function of the analytical concentration, C, of the solute. Strong evidence of the formation of van der Waals dimers at 10−4 M < C < 10−1 M and of higher oligomers at C > 10−1 M has been found. Variations in the absorption spectra at C < 10−1 M have been analyzed successfully in terms of a single [Formula: see text] equilibrium, for which the value of K is (5.0 ± 0.4) × 102 M−1 at 295 K. The mole fractions of monomer and dimer have been calculated at each C, and have been used to construct the absorption spectrum of the dimer. Both the monomer and dimer have similar S0 → S1, and S0 → S2 absorption spectra, but the dimer has an oscillator strength that is about twice that of the monomer. The effects of self-aggregation on the S2–S0 emission and excitation spectra have been analyzed. Absorption by the dimer in the ultraviolet also leads to emission, but with a different quantum efficency compared with direct excitation of the monomer. The implications of these observations on the interpretation of the spectroscopy, photophysics, and photochemistry of thiophosgene in solution are assessed.

Dipole oscillator strength distributions and properties for methanol, ethanol, and n-propanol

1984 ◽  
Vol 62 (2) ◽  
pp. 373-381 ◽  
Author(s):  
B. L. Jhanwar ◽  
William J. Meath
Keyword(s):  
Oscillator Strength ◽  
Cross Sections ◽  
Ground State ◽  
Oscillator Strengths ◽  
Sum Rule ◽  
Strength Data ◽  
Molar Refractivity ◽  
Dipole Oscillator ◽  
Strength Distributions

Dipole oscillator strength distributions (DOSDs) have been constructed for ground state methanol, ethanol, and n-propanol and used to evaluate integrated ("band") oscillator strengths and the dipole oscillator strength sums Sk and Lk (for a variety of k values) for these molecules. Each DOSD is constructed by using available experimental and theoretical photoabsorption cross sections and by constraining the resulting dipole oscillator strength data to satisfy the Thomas–Reiche–Kuhn sum rule and molar refractivity constraints. The discussion includes an analysis of the reliability of the results.

Sign in / Sign up

Export Citation Format

Share Document