Vibrational spectroscopic characterization of arylisoquinolines by means of Raman spectroscopy and density functional theory calculations

Robert Domes; Christian Domes; Christian R. Albert; Gerhard Bringmann; Jürgen Popp; Torsten Frosch

doi:10.1039/c7cp05415g

Vibrational spectroscopic characterization of arylisoquinolines by means of Raman spectroscopy and density functional theory calculations

Physical Chemistry Chemical Physics ◽

10.1039/c7cp05415g ◽

2017 ◽

Vol 19 (44) ◽

pp. 29918-29926 ◽

Cited By ~ 12

Author(s):

Robert Domes ◽

Christian Domes ◽

Christian R. Albert ◽

Gerhard Bringmann ◽

Jürgen Popp ◽

...

Keyword(s):

Raman Spectroscopy ◽

Density Functional ◽

Resonance Raman Spectroscopy ◽

Density Functional Theory Calculations ◽

Spectroscopic Characterization ◽

Functional Theory ◽

Antimalarial Agents ◽

Uv Resonance Raman Spectroscopy ◽

Deep Uv

Seven new AIQ antimalarial agents were investigated using FT-NIR and deep-UV resonance Raman spectroscopy.

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Framework Fe Ions in Fe-ZSM-5 Zeolite Studied by UV Resonance Raman Spectroscopy and Density Functional Theory Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp802955s ◽

2008 ◽

Vol 112 (41) ◽

pp. 16036-16041 ◽

Cited By ~ 39

Author(s):

Keju Sun ◽

Fengtao Fan ◽

Haian Xia ◽

Zhaochi Feng ◽

Wei-Xue Li ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Uv Resonance Raman ◽

Uv Resonance Raman Spectroscopy ◽

Fe Ions

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Genetic Engineering Combined with Deep UV Resonance Raman Spectroscopy for Structural Characterization of Amyloid-like Fibrils

Journal of the American Chemical Society ◽

10.1021/ja8006275 ◽

2008 ◽

Vol 130 (18) ◽

pp. 5852-5853 ◽

Cited By ~ 25

Author(s):

Vitali Sikirzhytski ◽

Natalya I. Topilina ◽

Seiichiro Higashiya ◽

John T. Welch ◽

Igor K. Lednev

Keyword(s):

Raman Spectroscopy ◽

Genetic Engineering ◽

Structural Characterization ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

Uv Resonance Raman ◽

Uv Resonance Raman Spectroscopy ◽

Deep Uv

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Quantitative methods for structural characterization of proteins based on deep UV resonance Raman spectroscopy

Methods ◽

10.1016/j.ymeth.2010.05.004 ◽

2010 ◽

Vol 52 (1) ◽

pp. 23-37 ◽

Cited By ~ 42

Author(s):

Victor A. Shashilov ◽

Vitali Sikirzhytski ◽

Ludmila A. Popova ◽

Igor K. Lednev

Keyword(s):

Raman Spectroscopy ◽

Structural Characterization ◽

Quantitative Methods ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

Uv Resonance Raman ◽

Uv Resonance Raman Spectroscopy ◽

Deep Uv

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Resonance Raman Spectroscopy and Density Functional Theory Calculations on Ferrous Porphyrin Dioxygen Adducts with Different Axial Ligands: Correlation of Ground State Wave Function and Geometric Parameters with Experimental Vibrational Frequencies

Inorganic Chemistry ◽

10.1021/acs.inorgchem.9b00656 ◽

2019 ◽

Vol 58 (16) ◽

pp. 10704-10715 ◽

Cited By ~ 6

Author(s):

Asmita Singha ◽

Pradip Kumar Das ◽

Abhishek Dey

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Wave Function ◽

Ground State ◽

Density Functional ◽

Resonance Raman Spectroscopy ◽

Density Functional Theory Calculations ◽

Geometric Parameters ◽

Functional Theory ◽

Axial Ligands

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Structural and Spectroscopic Characterization of Mer-[RhBr3(Me2pzH)3] (Me2pzH = 3, 5-Dimethylpyrazole); Interpreting the Results with Density Functional Theory Calculations

Journal of Chemical Crystallography ◽

10.1007/s10870-010-9701-2 ◽

2010 ◽

Vol 40 (7) ◽

pp. 583-590 ◽

Cited By ~ 1

Author(s):

Max M. Abrahams ◽

Gregory W. Cushing ◽

Zachary N. Pickett ◽

William A. Howard ◽

Kraig A. Wheeler

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Spectroscopic Characterization ◽

Functional Theory

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ChemInform Abstract: Syntheses, Crystal Structures, and Density Functional Theory Calculations of the closo-[1-M(CO)3(η4-E9)]4- (E: Sn, Pb; M: Mo, W) Cluster Anions and Solution NMR Spectroscopic Characterization of [1-M(CO)3(η4-Sn9)]4- (M: Cr, Mo, W).

ChemInform ◽

10.1002/chin.200212027 ◽

2010 ◽

Vol 33 (12) ◽

pp. no-no

Author(s):

Janette Campbell ◽

Helene P. A. Mercier ◽

Holger Franke ◽

David P. Santry ◽

David A. Dixon ◽

...

Keyword(s):

Density Functional Theory ◽

Crystal Structures ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Spectroscopic Characterization ◽

Solution Nmr ◽

Cluster Anions ◽

Functional Theory

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Syntheses, Crystal Structures, and Density Functional Theory Calculations of thecloso-[1-M(CO)3(η4-E9)]4-(E = Sn, Pb; M = Mo, W) Cluster Anions and Solution NMR Spectroscopic Characterization of [1-M(CO)3(η4-Sn9)]4-(M = Cr, Mo, W)†

Inorganic Chemistry ◽

10.1021/ic010695k ◽

2002 ◽

Vol 41 (1) ◽

pp. 86-107 ◽

Cited By ~ 89

Author(s):

Janette Campbell ◽

Hélène P. A. Mercier ◽

Holger Franke ◽

David P. Santry ◽

David A. Dixon ◽

...

Keyword(s):

Density Functional Theory ◽

Crystal Structures ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Spectroscopic Characterization ◽

Solution Nmr ◽

Cluster Anions ◽

Functional Theory

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Structural and vibrational characterization of the mono and dilithiated species derived from phenylacetonitrile in THF by infrared and Raman spectroscopy and density functional theory calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(01)00648-5 ◽

2002 ◽

Vol 58 (9) ◽

pp. 1971-1986 ◽

Cited By ~ 4

Author(s):

Jacques Corset ◽

Martine Castellà-Ventura ◽

Françoise Froment ◽

Tekla Strzalko ◽

Lya Wartski

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Infrared And Raman Spectroscopy ◽

Vibrational Characterization

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Probing the Metal-to-Ligand Charge Transfer First Excited State in (η6-Naphthalene)Cr(CO)3and (η6-Phenanthrene)Cr(CO)3by Resonance Raman Spectroscopy and Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp206466b ◽

2011 ◽

Vol 115 (42) ◽

pp. 11641-11651 ◽

Cited By ~ 5

Author(s):

Gennaro Picardi ◽

Tia E. Keyes ◽

Robert J. Forster ◽

Conor Long

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Excited State ◽

Charge Transfer ◽

Density Functional ◽

Resonance Raman Spectroscopy ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Ligand Charge Transfer ◽

First Excited State

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Excited state structural dynamics and Herzberg–Teller coupling of tetraphenylporphine explored via resonance Raman spectroscopy and density functional theory calculation

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2009.10.054 ◽

2010 ◽

Vol 75 (5) ◽

pp. 1381-1387 ◽

Cited By ~ 6

Author(s):

Jun Xu ◽

Junmin Wan ◽

Yanying Zhao ◽

Miaoqiang Lv ◽

Xuming Zheng ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Excited State ◽

Structural Dynamics ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

Functional Theory ◽

Theory Calculation

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