Luminescence properties of [Ir(C^N)2(N^N)]+ complexes: relations between DFT computation results and emission band-shape analysis data

For two series of [Ir(C^N)2(N^N)]+ luminophores, the computed DFT quantities remain in nice agreement with those available from the emission band-shape analyses.

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Molecular-engineered [Ir(Fppy)2(Mepic)] towards efficient blue-emission

New Journal of Chemistry ◽

10.1039/c5nj01352f ◽

2015 ◽

Vol 39 (8) ◽

pp. 6367-6376 ◽

Cited By ~ 11

Author(s):

Kassio P. S. Zanoni ◽

Akitaka Ito ◽

Neyde Y. Murakami Iha

Keyword(s):

Excited State ◽

Quantum Yield ◽

Emission Band ◽

Blue Emission ◽

Molecular Engineering ◽

Band Shape ◽

Td Dft ◽

Franck Condon ◽

Shape Analyses

A photophysical investigation of [Ir(Fppy)2(Mepic)] using TD-DFT and Franck–Condon emission band shape analyses revealed successful molecular engineering towards an intensified blue emission, with phosphorescence from a mixed 3MLCT-LCIr(Fppy)→Fppy/3LLCTFppy→Mepic excited state and an impressive unitary quantum yield.

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Ion association dynamics in aqueous solutions of sulfate salts as studied by Raman band shape analysis

The Journal of Chemical Physics ◽

10.1063/1.1931660 ◽

2005 ◽

Vol 123 (3) ◽

pp. 034508 ◽

Cited By ~ 19

Author(s):

Daisuke Watanabe ◽

Hiro-o Hamaguchi

Keyword(s):

Aqueous Solutions ◽

Shape Analysis ◽

Raman Band ◽

Ion Association ◽

Band Shape ◽

Sulfate Salts

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Corrigendum to: The room temperature emission band shape of the lowest energy chlorophyll spectral form of LHCI (FEBS 27430)

FEBS Letters ◽

10.1016/s0014-5793(03)00790-7 ◽

2003 ◽

Vol 549 (1-3) ◽

pp. 181-181 ◽

Cited By ~ 1

Author(s):

Robert C Jennings ◽

Flavio M. Garlaschi ◽

Tomas Morosinotto ◽

Enrico Engelmann ◽

Giuseppe Zucchelli

Keyword(s):

Emission Band ◽

Room Temperature ◽

Spectral Form ◽

Band Shape

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Vibrational band shape analysis of the C–H vibration of CH2I2molecules in liquid CCl4

The Journal of Chemical Physics ◽

10.1063/1.465522 ◽

1993 ◽

Vol 99 (12) ◽

pp. 9389-9393 ◽

Cited By ~ 10

Author(s):

G. Moser ◽

A. Asenbaum ◽

G. Döge

Keyword(s):

Shape Analysis ◽

Vibrational Band ◽

Band Shape

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Infrared Band-Shape Studies of Sulphate Glasses

Zeitschrift für Naturforschung A ◽

10.1515/zna-1982-0214 ◽

1982 ◽

Vol 37 (2) ◽

pp. 191-195

Author(s):

H. G. K. Sundar ◽

R. Parthasarathy ◽

K. J. Rao

Keyword(s):

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Shape Analysis ◽

Cluster Model ◽

Deformation Band ◽

Infrared Band ◽

Band Shape ◽

Correlation Times ◽

Second Moments

Abstract IR band-shape analysis has been carried out on the 620 cm-1 deformation band of the sulphate ion in several Na2SO4-K2SO4-ZnSO4 glasses. Variations of correlation times and second moments suggest that reorientational motions of sulphate ions begin to evolve prior to the glass-transition temperature. The correlation times may support a cluster model for the glass-transition.

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Raman band-shape analysis of urea—lysozyme interaction in aqueous solution

Journal of Molecular Structure ◽

10.1016/0022-2860(95)09080-0 ◽

1996 ◽

Vol 378 (2) ◽

pp. 111-119 ◽

Cited By ~ 1

Author(s):

Elizabeth P.G. Arêas ◽

Mauro C.C. Ribeiro ◽

Paulo S. Santos

Keyword(s):

Aqueous Solution ◽

Shape Analysis ◽

Raman Band ◽

Band Shape

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ChemInform Abstract: Experimental Determination of the S1 Torsional Potential of 9,9′- Bianthryl in 2-Methyl-butane by Simultaneous Franck-Condon and Band Shape Analysis of Temperature Dependent Optical Fluorescence Spectra.

ChemInform ◽

10.1002/chin.199207036 ◽

2010 ◽

Vol 23 (7) ◽

pp. no-no

Author(s):

R. WORTMANN ◽

K. ELICH ◽

S. LEBUS ◽

W. LIPTAY

Keyword(s):

Experimental Determination ◽

Shape Analysis ◽

Fluorescence Spectra ◽

Temperature Dependent ◽

Band Shape ◽

Torsional Potential ◽

Optical Fluorescence ◽

Franck Condon

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Band Shape Analysis of Fourier Transform Infrared Spectra

Applied Spectroscopy ◽

10.1366/0003702824639763 ◽

1982 ◽

Vol 36 (4) ◽

pp. 401-404 ◽

Cited By ~ 16

Author(s):

P. C. Gillette ◽

J. B. Lando ◽

J. L. Koenig

Keyword(s):

Fourier Transform ◽

Shape Analysis ◽

Infrared Spectra ◽

Goodness Of Fit ◽

Nonlinear Least Squares ◽

Fourier Transform Infrared ◽

Quantitative Information ◽

Band Shape ◽

Fourier Transform Infrared Spectra ◽

Overlapping Peaks

The application of a finite difference Levenberg-Marquardt nonlinear least-squares procedure for the resoluton of overlapping peaks in Fourier transform-infrared spectra is described. Starting estimates of peak parameters utilized in the refinement are obtained from a numerically approximated second derivative spectrum which has been smoothed. Quantitative information reflecting the constituent peaks and the “goodness of fit” is displayed graphically in a procedure requiring much less than 1 min to both initiate and obtain results in a form that is readily interpreted.

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