Visible Light Sensitized CO2 Activation by the Tetraaza [CoIIN4H(MeCN)]2+ Complex Investigated by FT-IR Spectroscopy and DFT Calculations

M. Zhang; M. El-Roz; H. Frei; J. L. Mendoza-Cortes; M. Head-Gordon; David C. Lacy; Jonas C. Peters

doi:10.1021/jp5127738

Visible Light Sensitized CO2 Activation by the Tetraaza [CoIIN4H(MeCN)]2+ Complex Investigated by FT-IR Spectroscopy and DFT Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp5127738 ◽

2015 ◽

Vol 119 (9) ◽

pp. 4645-4654 ◽

Cited By ~ 31

Author(s):

M. Zhang ◽

M. El-Roz ◽

H. Frei ◽

J. L. Mendoza-Cortes ◽

M. Head-Gordon ◽

...

Keyword(s):

Ir Spectroscopy ◽

Dft Calculations ◽

Visible Light ◽

Co2 Activation ◽

Ft Ir ◽

Ft Ir Spectroscopy

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Detection of relative dimer and rotamer concentrations of diacetamide in different solvents by FT-IR spectroscopy and DFT calculations

Vibrational Spectroscopy ◽

10.1016/j.vibspec.2011.08.008 ◽

2011 ◽

Vol 57 (2) ◽

pp. 294-299 ◽

Cited By ~ 3

Author(s):

Sedat Karabulut ◽

Hilmi Namli ◽

Massimo Mella

Keyword(s):

Ir Spectroscopy ◽

Dft Calculations ◽

Ft Ir ◽

Ft Ir Spectroscopy

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Photoinduced Oxygen Transfer and Double-Linkage Isomerism in acis-(NO)(NO2) Transition-Metal Complex by Photocrystallography, FT-IR Spectroscopy and DFT Calculations

Chemistry - A European Journal ◽

10.1002/chem.200500653 ◽

2005 ◽

Vol 11 (24) ◽

pp. 7254-7264 ◽

Cited By ~ 53

Author(s):

Andrey Yu Kovalevsky ◽

Graham King ◽

Kimberly A. Bagley ◽

Philip Coppens

Keyword(s):

Ir Spectroscopy ◽

Transition Metal ◽

Dft Calculations ◽

Metal Complex ◽

Oxygen Transfer ◽

Transition Metal Complex ◽

Linkage Isomerism ◽

Ft Ir ◽

Ft Ir Spectroscopy

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FT-IR Spectroscopy and DFT Calculations on Fluorinated Macromer Diols: IR Intensity and Association Properties

The Journal of Physical Chemistry B ◽

10.1021/jp101840f ◽

2010 ◽

Vol 114 (19) ◽

pp. 6332-6336 ◽

Cited By ~ 9

Author(s):

Stefano Radice ◽

Elena Di Dedda ◽

Claudio Tonelli ◽

Roberto Della Pergola ◽

Alberto Milani ◽

...

Keyword(s):

Ir Spectroscopy ◽

Dft Calculations ◽

Ft Ir ◽

Ft Ir Spectroscopy

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Direct Observation of a Hydroperoxide Surface Intermediate upon Visible Light-Driven Water Oxidation at an Ir Oxide Nanocluster Catalyst by Rapid-Scan FT-IR Spectroscopy

Journal of the American Chemical Society ◽

10.1021/ja205300a ◽

2011 ◽

Vol 133 (33) ◽

pp. 12976-12979 ◽

Cited By ~ 70

Author(s):

Narayanappa Sivasankar ◽

Walter W. Weare ◽

Heinz Frei

Keyword(s):

Ir Spectroscopy ◽

Visible Light ◽

Direct Observation ◽

Water Oxidation ◽

Rapid Scan ◽

Surface Intermediate ◽

Visible Light Driven ◽

Ft Ir ◽

Ft Ir Spectroscopy

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Tautomerism of N-substituted acridin-9-amines in the context of dynamic NMR and matrix isolation-FT-IR spectroscopy supported by DFT calculations and structural analysis

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.128424 ◽

2020 ◽

Vol 1218 ◽

pp. 128424

Author(s):

Karol Krzymiński ◽

Beata Zadykowicz ◽

Piotr Storoniak ◽

Michał Wera ◽

Krzysztof Żamojć

Keyword(s):

Structural Analysis ◽

Ir Spectroscopy ◽

Dft Calculations ◽

Matrix Isolation ◽

Dynamic Nmr ◽

Ft Ir ◽

Ft Ir Spectroscopy

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Weak hydrogen bonding interaction S–H···OC studied by FT-IR spectroscopy and DFT calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2015.09.032 ◽

2016 ◽

Vol 1103 ◽

pp. 217-223 ◽

Cited By ~ 13

Author(s):

Agnieszka Mielcarek ◽

Anna Dołęga

Keyword(s):

Hydrogen Bonding ◽

Ir Spectroscopy ◽

Dft Calculations ◽

Hydrogen Bonding Interaction ◽

Bonding Interaction ◽

Weak Hydrogen Bonding ◽

Ft Ir ◽

Ft Ir Spectroscopy

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Characterization of Meldrum’s acid derivative 5-(5-Ethyl-1,3,4-thiadiazol-2-ylamino)methylene-2,2-dimethyl-1,3-dioxane-4,6-dione by Raman and FT-IR spectroscopy and DFT calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2015.02.062 ◽

2015 ◽

Vol 1091 ◽

pp. 37-42 ◽

Cited By ~ 15

Author(s):

T.A. de Toledo ◽

L.E. da Silva ◽

A.M.R. Teixeira ◽

P.T.C. Freire ◽

P.S. Pizani

Keyword(s):

Ir Spectroscopy ◽

Dft Calculations ◽

Acid Derivative ◽

Meldrum's Acid ◽

Meldrum’S Acid ◽

Ft Ir ◽

Ft Ir Spectroscopy

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A Comparative Study for Natural Degradation of Three Local Anesthetic Drugs for Human use by 1H NMR Relaxometry and FT-IR Spectroscopy

Studia Universitatis Babeș-Bolyai Physica ◽

10.24193/subbphys.2018.06 ◽

2018 ◽

Vol 63 (1-2) ◽

pp. 61-73

Author(s):

L. R. Drăgan ◽

◽

R. Crainic ◽

R. Fechete ◽

◽

...

Keyword(s):

Ir Spectroscopy ◽

Comparative Study ◽

Local Anesthetic ◽

Anesthetic Drugs ◽

Nmr Relaxometry ◽

Ft Ir ◽

Natural Degradation ◽

Human Use ◽

1H Nmr Relaxometry ◽

Ft Ir Spectroscopy

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Combination of Sorption Tube Sampling and Thermal Desorption with Hollow Waveguide FT-IR Spectroscopy for Atmospheric Trace Gas Analysis: Determination of Atmospheric Ethene at the Lower ppb Level

Analytical Chemistry ◽

10.1021/ac034396j ◽

2004 ◽

Vol 76 (2) ◽

pp. 464-468 ◽

Cited By ~ 19

Author(s):

Olga A. Pogodina ◽

Victor V. Pustogov ◽

Fabiano de Melas ◽

Christina Haberhauer-Troyer ◽

Erwin Rosenberg ◽

...

Keyword(s):

Ir Spectroscopy ◽

Thermal Desorption ◽

Gas Analysis ◽

Trace Gas ◽

Hollow Waveguide ◽

Ft Ir ◽

Atmospheric Trace Gas ◽

Analysis Determination ◽

Ft Ir Spectroscopy

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Multiscale exploration of hydrocarbons adsorption and hopping through the ZSM-5 channels - from Monte Carlo modelling to experiment

Physical Chemistry Chemical Physics ◽

10.1039/d0cp05128d ◽

2021 ◽

Author(s):

Maciej Strzempek ◽

Karolina A. Tarach ◽

Kinga Góra-Marek ◽

Fernando Rey ◽

Miguel Palomino ◽

...

Keyword(s):

Monte Carlo ◽

Ir Spectroscopy ◽

Aliphatic Hydrocarbons ◽

Adsorption Studies ◽

Ft Ir ◽

Gravimetric Adsorption ◽

Hydrocarbons Adsorption ◽

Ft Ir Spectroscopy

Abstract In this article the results of the statistical MC modelling corroborated by the FT-IR spectroscopy and gravimetric adsorption studies of the low aliphatic hydrocarbons in ZSM-5 (Si/Al =28 or...

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