Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3]2+ as a case study

Alberto Baiardi; Camille Latouche; Julien Bloino; Vincenzo Barone

doi:10.1039/c4dt02151g

Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3]2+ as a case study

Dalton Transactions ◽

10.1039/c4dt02151g ◽

2014 ◽

Vol 43 (47) ◽

pp. 17610-17614 ◽

Cited By ~ 13

Author(s):

Alberto Baiardi ◽

Camille Latouche ◽

Julien Bloino ◽

Vincenzo Barone

Keyword(s):

High Resolution ◽

Metal Complexes ◽

Raman Spectra ◽

Resonance Raman ◽

Vibrational Resonance ◽

Resonance Raman Spectra

Herein we present a new and promising approach for the high-resolution modeling of vibrational resonance Raman spectra of metal complexes in solution.

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The vibrational resonance Raman spectra and the valence force field of iridium dichalcogenides, IrS2 and IrSe2

Journal of Solid State Chemistry ◽

10.1016/0022-4596(91)90069-t ◽

1991 ◽

Vol 91 (1) ◽

pp. 153-172 ◽

Cited By ~ 6

Author(s):

C. Sourisseau ◽

R. Cavagnat ◽

M. Fouassier ◽

S. Jobic ◽

P. Deniard ◽

...

Keyword(s):

Force Field ◽

Raman Spectra ◽

Resonance Raman ◽

Vibrational Resonance ◽

Valence Force ◽

Valence Force Field ◽

Resonance Raman Spectra

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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods

Molecular Spectroscopy ◽

10.1002/9783527814596.ch17 ◽

2019 ◽

pp. 497-536 ◽

Cited By ~ 2

Author(s):

Julien Guthmuller

Keyword(s):

Quantum Chemistry ◽

Raman Spectra ◽

Resonance Raman ◽

Vibrational Resonance ◽

Resonance Raman Spectra

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Interpretation of the Resonance Raman Spectra of Tetraphenylporphin Metal Complexes

Spectroscopy Letters ◽

10.1080/00387018608069296 ◽

1986 ◽

Vol 19 (8) ◽

pp. 905-915 ◽

Cited By ~ 9

Author(s):

L. L. Gladkov ◽

K. N. Solovyov

Keyword(s):

Metal Complexes ◽

Raman Spectra ◽

Resonance Raman ◽

Resonance Raman Spectra

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ChemInform Abstract: SPECTROSCOPIC STUDIES OF METAL COMPLEXES CONTAINING Π-DELOCALIZED SULFUR LIGANDS. THE RESONANCE RAMAN SPECTRA OF THE IRON(II) AND IRON(III) COMPLEXES OF THE ANTITUMOR AGENT 2-FORMYLPYRIDINE THIOSEMICARBAZONE

Chemischer Informationsdienst ◽

10.1002/chin.198409040 ◽

1984 ◽

Vol 15 (9) ◽

Author(s):

H. BERALDO ◽

L. TOSI

Keyword(s):

Metal Complexes ◽

Raman Spectra ◽

Resonance Raman ◽

Antitumor Agent ◽

Spectroscopic Studies ◽

Resonance Raman Spectra

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Spectroscopic studies of metal complexes containing π-delocalized sulphur ligands. The resonance-Raman spectra of the antitumor agent [Cu(kts)] and the related cation [Cu(H2kts)]2+

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9820000103 ◽

1982 ◽

pp. 103-108 ◽

Cited By ~ 6

Author(s):

Lucia Tosi ◽

Arlette Garnier-Suillerot

Keyword(s):

Metal Complexes ◽

Raman Spectra ◽

Resonance Raman ◽

Antitumor Agent ◽

Spectroscopic Studies ◽

Resonance Raman Spectra

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Resonance Raman spectra and electronic structure of binuclear .mu.-oxo-bridged decahalo transition metal complexes M2OX104-, M = ruthenium, osmium, tungsten

Inorganic Chemistry ◽

10.1021/ic50171a009 ◽

1977 ◽

Vol 16 (5) ◽

pp. 1016-1021 ◽

Cited By ~ 19

Author(s):

Joseph. San Filippo ◽

Paul J. Fagan ◽

Frank J. Di Salvo

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Metal Complexes ◽

Raman Spectra ◽

Transition Metal Complexes ◽

Resonance Raman ◽

Resonance Raman Spectra

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Resonance Raman spectra of metal complexes of substituted dithiophosphinic acids

Inorganic Chemistry ◽

10.1021/ic50150a058 ◽

1975 ◽

Vol 14 (8) ◽

pp. 2012-2013 ◽

Cited By ~ 9

Author(s):

S. Sunder ◽

L. Hanlan ◽

H. J. Bernstein

Keyword(s):

Metal Complexes ◽

Raman Spectra ◽

Resonance Raman ◽

Dithiophosphinic Acids ◽

Resonance Raman Spectra

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Effective Time-Independent Calculations of Vibrational Resonance Raman Spectra of Isolated and Solvated Molecules Including Duschinsky and Herzberg–Teller Effects

Journal of Chemical Theory and Computation ◽

10.1021/ct200054w ◽

2011 ◽

Vol 7 (6) ◽

pp. 1824-1839 ◽

Cited By ~ 57

Author(s):

Fabrizio Santoro ◽

Chiara Cappelli ◽

Vincenzo Barone

Keyword(s):

Raman Spectra ◽

Resonance Raman ◽

Vibrational Resonance ◽

Effective Time ◽

Solvated Molecules ◽

Resonance Raman Spectra

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ChemInform Abstract: Spectroscopic Studies of Metal Complexes Containing π-Delocalized Sulfur Ligands. The Pre-Resonance Raman Spectra of the Antitumor Agent 2-Formylpyridine Thiosemicarbazone and Its Cu(II) and Zn(II) Complexes.

ChemInform ◽

10.1002/chin.198712082 ◽

1987 ◽

Vol 18 (12) ◽

Author(s):

H. BERALDO ◽

L. TOSI

Keyword(s):

Metal Complexes ◽

Raman Spectra ◽

Resonance Raman ◽

Antitumor Agent ◽

Spectroscopic Studies ◽

Resonance Raman Spectra

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Surface-enhanced resonance raman spectra of meso-tetraphenylporphine and its metal complexes in a layered structure having an Ag/sample/CaF2-roughened-substrate configuration

Chemical Physics Letters ◽

10.1016/0009-2614(83)87388-6 ◽

1983 ◽

Vol 102 (2-3) ◽

pp. 179-183 ◽

Cited By ~ 22

Author(s):

Kazuo Shoji ◽

Yoshihiro Kobayasi ◽

Koichi Itoh

Keyword(s):

Metal Complexes ◽

Raman Spectra ◽

Layered Structure ◽

Resonance Raman ◽

Surface Enhanced ◽

Resonance Raman Spectra

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