CO2 activation through silylimido and silylamido zirconium hydrides supported on N-donor chelating SBA15 surface ligands

Farhan Ahmad Pasha; Anissa Bendjeriou-Sedjerari; Edy Abou-Hamad; Kuo-Wei Huang; Jean-Marie Basset

doi:10.1039/c5cc08821f

CO2 activation through silylimido and silylamido zirconium hydrides supported on N-donor chelating SBA15 surface ligands

Chemical Communications ◽

10.1039/c5cc08821f ◽

2016 ◽

Vol 52 (12) ◽

pp. 2577-2580 ◽

Cited By ~ 8

Author(s):

Farhan Ahmad Pasha ◽

Anissa Bendjeriou-Sedjerari ◽

Edy Abou-Hamad ◽

Kuo-Wei Huang ◽

Jean-Marie Basset

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Solid State Nmr ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Co2 Activation ◽

Functional Theory ◽

Surface Ligands ◽

Different Types ◽

Zirconium Hydrides

Density functional theory calculations and 2D 1H–13C HETCOR solid state NMR spectroscopy prove that CO2 can be used to probe, by its own reactivity, different types of N-donor surface ligands on SBA15-supported ZrIV hydrides: [(Si–O–)(Si–N)[Zr]H] and [(Si–NH–)(Si–X–)[Zr]H2] (XO or NH).

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Polymorphs of Rb3ScF6: X-ray and Neutron Diffraction, Solid-State NMR, and Density Functional Theory Calculations Study

Inorganic Chemistry ◽

10.1021/acs.inorgchem.1c00485 ◽

2021 ◽

Vol 60 (8) ◽

pp. 6016-6026

Author(s):

Aydar Rakhmatullin ◽

Maxim S. Molokeev ◽

Graham King ◽

Ilya B. Polovov ◽

Konstantin V. Maksimtsev ◽

...

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Neutron Diffraction ◽

Solid State Nmr ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

X Ray

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Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory Calculations

Biomacromolecules ◽

10.1021/acs.biomac.6b00441 ◽

2016 ◽

Vol 17 (6) ◽

pp. 2210-2222 ◽

Cited By ~ 46

Author(s):

Tuo Wang ◽

Hui Yang ◽

James D. Kubicki ◽

Mei Hong

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Solid State Nmr ◽

Cell Walls ◽

High Field ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Structural Polymorphism ◽

Functional Theory ◽

Plant Primary Cell Walls

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Combined Approach for the Structural Characterization of Alkali Fluoroscandates: Solid-State NMR, Powder X-ray Diffraction, and Density Functional Theory Calculations

Inorganic Chemistry ◽

10.1021/acs.inorgchem.7b02617 ◽

2018 ◽

Vol 57 (3) ◽

pp. 1184-1195 ◽

Cited By ~ 8

Author(s):

Aydar Rakhmatullin ◽

Ilya B. Polovov ◽

Dmitry Maltsev ◽

Mathieu Allix ◽

Vladimir Volkovich ◽

...

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Solid State Nmr ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Combined Approach ◽

X Ray Diffraction ◽

Functional Theory ◽

X Ray

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New Insights into the Cs Adsorption on Montmorillonite Clay from 133Cs Solid-State NMR and Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.8b07276 ◽

2018 ◽

Vol 122 (48) ◽

pp. 9326-9337 ◽

Cited By ~ 4

Author(s):

Takahiro Ohkubo ◽

Takuya Okamoto ◽

Katsuyuki Kawamura ◽

Régis Guégan ◽

Kenzo Deguchi ◽

...

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Solid State Nmr ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Montmorillonite Clay ◽

Functional Theory

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25Mg Solid-State NMR of Magnesium Phosphates: High Magnetic Field Experiments and Density Functional Theory Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp307456m ◽

2012 ◽

Vol 116 (37) ◽

pp. 19984-19995 ◽

Cited By ~ 23

Author(s):

D. Laurencin ◽

C. Gervais ◽

H. Stork ◽

S. Krämer ◽

D. Massiot ◽

...

Keyword(s):

Magnetic Field ◽

Density Functional Theory ◽

Solid State ◽

High Magnetic Field ◽

Solid State Nmr ◽

Density Functional ◽

Field Experiments ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Magnesium Phosphates

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An Investigation of Chlorine Ligands in Transition-Metal Complexes via 35Cl Solid-State NMR and Density Functional Theory Calculations

Inorganic Chemistry ◽

10.1021/ic501004u ◽

2014 ◽

Vol 53 (18) ◽

pp. 9581-9597 ◽

Cited By ~ 20

Author(s):

Christopher A. O’Keefe ◽

Karen E. Johnston ◽

Kiplangat Sutter ◽

Jochen Autschbach ◽

Régis Gauvin ◽

...

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Solid State Nmr ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory

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Experimental 1H and 13C Solid-State NMR Signal Assignment of Paramagnetic Copper (II) 2-Pyrazine-Carboxylate Complex using Density Functional Theory Calculations

Journal of Physics Conference Series ◽

10.1088/1742-6596/1819/1/012032 ◽

2021 ◽

Vol 1819 (1) ◽

pp. 012032

Author(s):

Bhargava Hanumanta Patil ◽

Pampa Peraje ◽

Dinesh Naik ◽

R Rajaramakrishna ◽

Jens Dittmer ◽

...

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Solid State Nmr ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Signal Assignment ◽

Carboxylate Complex ◽

Nmr Signal Assignment

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Molecular Structure Determination by EXAFS of [Y(NCS)6]3-Units in Solid State and in Solution. A Comparison with Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp982125k ◽

1998 ◽

Vol 102 (38) ◽

pp. 7435-7441 ◽

Cited By ~ 7

Author(s):

Sofía Díaz-Moreno ◽

José M. Martínez ◽

Adela Muñoz-Páez ◽

Hideto Sakane ◽

Iwao Watanabe

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Solid State ◽

Structure Determination ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory

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Synthesis and Characterization of Nanostructured Magnesium Oxide: Insight from Solid-State Density Functional Theory Calculations

Journal of Inorganic and Organometallic Polymers and Materials ◽

10.1007/s10904-016-0411-x ◽

2016 ◽

Vol 26 (6) ◽

pp. 1413-1420 ◽

Cited By ~ 11

Author(s):

Neetu Singh ◽

Prabhat Kumar Singh ◽

Anuradha Shukla ◽

Satyendra Singh ◽

Poonam Tandon

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Magnesium Oxide ◽

Density Functional ◽

Density Functional Theory Calculations ◽

State Density ◽

Synthesis And Characterization ◽

Functional Theory

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Carbonyl Complexes of Iron(II), Ruthenium(II), and Osmium(II) 5,10,15,20-Tetraphenylporphyrinates: A Comparative Investigation by X-ray Crystallography, Solid-State NMR Spectroscopy, and Density Functional Theory

Journal of the American Chemical Society ◽

10.1021/ja9740069 ◽

1998 ◽

Vol 120 (44) ◽

pp. 11323-11334 ◽

Cited By ~ 54

Author(s):

Renzo Salzmann ◽

Christopher J. Ziegler ◽

Nathalie Godbout ◽

Michael T. McMahon ◽

Kenneth S. Suslick ◽

...

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Nmr Spectroscopy ◽

Solid State Nmr ◽

Density Functional ◽

Comparative Investigation ◽

Carbonyl Complexes ◽

Functional Theory ◽

X Ray ◽

X Ray Crystallography

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