Search results for: Monica Vasiliu

Items from 1 to 20 out of 45 results

article

Die entscheidende Rolle von Sb₂F₁₀ bei der chemischen Synthese von F₂

Martin Möbs, David A. Dixon, Gabriel F. Melo, Monica Vasiliu, more

Angewandte Chemie > 135 > 39 > n/a - n/a

Die Synthese von elementarem Fluor auf rein chemischem Weg ist spektakulär und galt länger als ein Jahrhundert als unmöglich. Im Jahr 1986 war man schließlich erfolgreich. Seitdem wurde diese wichtige Reaktion nicht weiter untersucht und ihr detaillierter Mechanismus blieb ein Rätsel. Die ursprüngliche Hypothese eines thermodynamisch instabilen MnF₄, welches sich spontan zu einem Manganfluorid niedrigerer...

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The Crucial Role of Sb₂F₁₀ in the Chemical Synthesis of F₂

Martin Möbs, David A. Dixon, Gabriel F. Melo, Monica Vasiliu, more

Angewandte Chemie International Edition > 62 > 39 > n/a - n/a

The purely chemical synthesis of fluorine is a spectacular reaction which for more than a century had been believed to be impossible. In 1986, it was finally experimentally achieved, but since then this important reaction has not been further studied and its detailed mechanism had been a mystery. The known thermal stability of MnF₄ casts serious doubts on the originally proposed hypothesis that MnF...

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Protonation of CH₃N₃ and CF₃N₃ in Superacids: Isolation and Structural Characterization of Long‐Lived Methyl‐ and Trifluoromethylamino Diazonium Ions

Thomas Saal, Zsófia E. Blastik, Ralf Haiges, Archith Nirmalchandar, more

Angewandte Chemie International Edition > 59 > 30 > 12520 - 12526

The methylamino diazonium cations [CH₃N(H)N₂]⁺ and [CF₃N(H)N₂]⁺ were prepared as their low‐temperature stable [AsF₆]⁻ salts by protonation of azidomethane and azidotrifluoromethane in superacidic systems. They were characterized by NMR and Raman spectroscopy. Unequivocal proof of the protonation site was obtained by the crystal structures of both salts, confirming the formation of alkylamino diazonium...

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Protonierung von CH₃N₃ und CF₃N₃ in Supersäuren: Isolierung und strukturelle Charakterisierung von langlebigen Methyl‐ und Trifluormethylamino‐Diazonium‐Ionen

Thomas Saal, Zsófia E. Blastik, Ralf Haiges, Archith Nirmalchandar, more

Angewandte Chemie > 132 > 30 > 12620 - 12627

Die Methylaminodiazonium‐Kationen [CH₃N(H)N₂]⁺ und [CF₃N(H)N₂]⁺ wurden als ihre bei niedriger Temperatur stabilen [AsF₆]‐Salze durch Protonierung von Azidomethan und Azidotrifluormethan in supersauren Systemen hergestellt. Sie wurden durch NMR‐ und Raman‐Spektroskopie charakterisiert. Ein eindeutiger Nachweis der Protonierungsstelle wurde durch die Kristallstrukturen beider Salze erhalten, welche...

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Mechanism by which Tungsten Oxide Promotes the Activity of Supported V₂O₅/TiO₂ Catalysts for NO_X Abatement: Structural Effects Revealed by ⁵¹V MAS NMR Spectroscopy

Nicholas R. Jaegers, Jun‐Kun Lai, Yang He, Eric Walter, more

Angewandte Chemie > 131 > 36 > 12739 - 12746

The selective catalytic reduction (SCR) of NO_x with NH₃ to N₂ with supported V₂O₅(‐WO₃)/TiO₂ catalysts is an industrial technology used to mitigate toxic emissions. Long‐standing uncertainties in the molecular structures of surface vanadia are clarified, whereby progressive addition of vanadia to TiO₂ forms oligomeric vanadia structures and reveals a proportional relationship of SCR reaction rate...

article

Mechanism by which Tungsten Oxide Promotes the Activity of Supported V₂O₅/TiO₂ Catalysts for NO_X Abatement: Structural Effects Revealed by ⁵¹V MAS NMR Spectroscopy

Nicholas R. Jaegers, Jun‐Kun Lai, Yang He, Eric Walter, more

Angewandte Chemie International Edition > 58 > 36 > 12609 - 12616

article

Inside Back Cover: Mechanism by which Tungsten Oxide Promotes the Activity of Supported V₂O₅/TiO₂ Catalysts for NO_X Abatement: Structural Effects Revealed by ⁵¹V MAS NMR Spectroscopy (Angew. Chem. Int. Ed. 36/2019)

Nicholas R. Jaegers, Jun‐Kun Lai, Yang He, Eric Walter, more

Angewandte Chemie International Edition > 58 > 36 > 12717 - 12717

Abatement of NO_x emissions by selective catalytic reduction (SCR) on vanadia‐based heterogeneous catalysts is promoted by structural effects caused by tungsten oxide. The mechanism is identified by J. Z. Hu, Y. Wang, I. E. Wachs, and co‐workers in their Research Article on page 12609 ff. The SCR is shown to proceed via a two‐site mechanism over adjacent vanadia sites. The use of tungsten oxide results...

article

Innenrücktitelbild: Mechanism by which Tungsten Oxide Promotes the Activity of Supported V₂O₅/TiO₂ Catalysts for NO_X Abatement: Structural Effects Revealed by ⁵¹V MAS NMR Spectroscopy (Angew. Chem. 36/2019)

Nicholas R. Jaegers, Jun‐Kun Lai, Yang He, Eric Walter, more

Angewandte Chemie > 131 > 36 > 12847 - 12847

Die Minderung von NO_x‐Emissionen durch selektive katalytische Reduktion (SCR) auf Vanadiumoxid‐basierten Heterogenkatalysatoren wird durch Wolframoxid gefördert. In ihrem Forschungsartikel auf S. 12739 zeigen J. Z. Hu, Y. Wang, I. E. Wachs und Mitarbeiter, dass diese SCR über einen Zwei‐Zentren‐Mechanismus an benachbarten Vanadiumoxidzentren verläuft. Das Wolframoxid bewirkt die Oligomerisierung des...

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Frontispiece: Gas Phase Hydrolysis and Oxo‐Exchange of Actinide Dioxide Cations: Elucidating Intrinsic Chemistry from Protactinium to Einsteinium

Monica Vasiliu, John K. Gibson, Kirk A. Peterson, David A. Dixon

Chemistry – A European Journal > 25 > 17 > n/a - n/a

Reactivity across the actinide (An) series of elements illuminates intrinsic underpinnings of their chemistry, including the variable role of quasi‐valence 5f electrons. Gas‐phase oxo‐exchange between water and actinyl cations, AnO₂⁺, occurs via molecular‐scale hydrolysis and is quintessential oxo bond activation. Computations of this process for nine actinyls, from PaO₂⁺ to EsO₂⁺, agree with experiment...

article

Gas Phase Hydrolysis and Oxo‐Exchange of Actinide Dioxide Cations: Elucidating Intrinsic Chemistry from Protactinium to Einsteinium

Monica Vasiliu, John K. Gibson, Kirk A. Peterson, David A. Dixon

Chemistry – A European Journal > 25 > 17 > 4245 - 4254

Gas‐phase bimolecular reactions of metal cations with water provide insights into intrinsic characteristics of hydrolysis. For the actinide dioxide cations, actinyl(V) AnO₂⁺, melding of experiment and computation provides insights into trends for hydrolysis, as well as for oxo‐exchange between actinyls and water that proceeds by a hydrolysis pathway. Here this line of inquiry is further extended into...

article

How Energetic are cyclo‐Pentazolates?

Karl O. Christe, David A. Dixon, Monica Vasiliu, Ralf Haiges, more

Propellants, Explosives, Pyrotechnics > 44 > 3 > 263 - 266

The enthalpies of formation of the cyclo‐pentazolates and azides of N₂H₅⁺, NH₃OH⁺, NH₄⁺, C(NH₂)₃⁺, and N(CH₃)₄⁺ were calculated with the G3MP2 method and together with the experimental densities used to predict with the Cheetah program the performances of these salts as explosives and propellants. As explosives, the cyclo‐N₅⁻ (c‐N₅⁻) salts outperform the corresponding azides by a significant amount...

article

α‐Fluoroalcohols: Synthesis and Characterization of Perfluorinated Methanol, Ethanol and n‐Propanol, and their Oxonium Salts

Amanda F. Baxter, Jonas Schaab, Joachim Hegge, Thomas Saal, more

Chemistry – A European Journal > 24 > 63 > 16737 - 16742

The thermally unstable, primary perfluoroalcohols, CF₃OH, C₂F₅OH, and nC₃F₇OH, were conveniently prepared from the corresponding carbonyl compounds in anhydrous HF solution. Experimental values for the reaction enthalpies and entropies were derived from the temperature dependence of the R_fCOF+HF⇄R_fCF₂OH (R_f=F, CF₃, CF₃CF₂) equilibria by NMR spectroscopy. Electronic structure calculations of the gas‐phase...

article

Front Cover: α‐Fluoroalcohols: Synthesis and Characterization of Perfluorinated Methanol, Ethanol and n‐Propanol, and their Oxonium Salts (Chem. Eur. J. 63/2018)

Amanda F. Baxter, Jonas Schaab, Joachim Hegge, Thomas Saal, more

Chemistry – A European Journal > 24 > 63 > 16699 - 16699

Perfluoroalcohols: Although thermally unstable, these alcohols can be readily accessed through equilibria of the corresponding acyl fluorides with HF in anhydrous HF solution. These equilibria can be shifted to the side of the alcohols by trapping them as oxonium salts, ethers or alkoxides, thus making these reactions synthetically useful. More information can be found in the Communication by K. O...

article

α‐Fluoroalcohols: Synthesis and Characterization of Perfluorinated Methanol, Ethanol and n‐Propanol, and their Oxonium Salts

Amanda F. Baxter, Jonas Schaab, Joachim Hegge, Thomas Saal, more

Chemistry – A European Journal > 24 > 63 > 16701 - 16701

Invited for the cover of this issue is Karl O. Christe and co‐workers at the University of Southern California, Los Angeles, CA. and The University of Alabama, Tuscaloosa, AL. The image depicts a group of people enjoying alcohol at the Oktoberfest, but this includes a warning that perfluoroalcohols are strong acids, unsuitable for human consumption. Read the full text of the article at 10.1002/chem...

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Chemistry of the Highly Strained Alkene Perfluorobicyclo[2.2.0]hex‐1(4)‐ene

Christopher P. Junk, Yigang He, Yin Zhang, Joshua R. Smith, more

European Journal of Organic Chemistry > 2018 > 24 > 3167 - 3179

Several varieties of cycloaddition as well as nucleophilic and free radical addition to the highly reactive central bond of the title fluorocarbon (1) are described. [2 + 2] Cycloaddition to 1 has made available four of the five known representatives of the [2.2.2]propellane ring system, which are rare because of their extreme strain (in the absence of fluorine substitution) and high reactivity. Two...

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Characterization of Carbenes via Hydrogenation Energies, Stability, and Reactivity: What's in a Name?

Monica Vasiliu, Kirk A. Peterson, Anthony J. Arduengo, David A. Dixon

Chemistry – A European Journal > 23 > 69 > 17556 - 17565

The hydrogenation energies and singlet–triplet (S–T) splittings at the G3MP2 level of theory have been calculated for a wide range of carbenes. The carbene, :CXY with different substituents (X, Y=H, CN, NC, F, Cl, OH, OCH₃, CH₃, CF₃, SiH₃, SiMe₃, phenyl, CH=O, PH₂, and NH₂) at the carbenic carbon center, immidazole‐based carbenes, Bertrand's carbenes, and Seppelt's CF₃CSF₃ were studied. The stable...

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Remarkably High Stability of Late Actinide Dioxide Cations: Extending Chemistry to Pentavalent Berkelium and Californium

Phuong D. Dau, Monica Vasiliu, Kirk A. Peterson, David A. Dixon, more

Chemistry – A European Journal > 23 > 68 > 17369 - 17378

Actinyl chemistry is extended beyond Cm to BkO₂⁺ and CfO₂⁺ through transfer of an O atom from NO₂ to BkO⁺ or CfO⁺, establishing a surprisingly high lower limit of 73 kcal mol⁻¹ for the dissociation energies, D[O‐(BkO⁺)] and D[O‐(CfO⁺)]. CCSD(T) computations are in accord with the observed reactions, and characterize the newly observed dioxide ions as linear pentavalent actinyls; these being the first...

article

Preparation and Characterization of Group 13 Cyanides

Ralf Haiges, Piyush Deokar, Monica Vasiliu, Trent H. Stein, more

Chemistry – A European Journal > 23 > 38 > 9054 - 9066

Binary Group 13 cyanides [PPh₄][Ga(CN)₄], [PPh₄]₂[In(CN)₅], and [PPh₄]₂[Tl(CN)₅] were obtained in quantitative yields from the corresponding metal trifluorides MF₃ (M=Ga, In, Tl) by fluoride–cyanide exchange reactions with Me₃SiCN in the presence of stoichiometric amounts of [PPh₄]CN in acetonitrile solution. The 2,2′‐bipyridine (bipy) adducts [(bipy)₂Ga(CN)₂][Ga(CN)₄], [(bipy)In(CN)₃], and [(bipy)Tl(CN)...

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Cover Picture: Preparation and Characterization of Group 13 Cyanides (Chem. Eur. J. 38/2017)

Ralf Haiges, Piyush Deokar, Monica Vasiliu, Trent H. Stein, more

Chemistry – A European Journal > 23 > 38 > 8989 - 8989

New binary Group 13 cyanides were prepared from the corresponding metal trifluorides [MF₃] (M = Ga, In, Tl) by fluoride–cyanide exchange reactions with Me₃SiCN in the presence of stoichiometric amounts of [PPh₄][CN] or 2,2’‐bipyridine in acetonitrile solution. Although the reaction of the metal trifluorides with Me₃SiCN in acetonitrile resulted in the recovery of the starting materials, the reaction...

article

Preparation and Characterization of Group 13 Cyanides

Ralf Haiges, Piyush Deokar, Monica Vasiliu, Trent H. Stein, more

Chemistry – A European Journal > 23 > 38 > 8991 - 8991

Invited for the cover of this issue is the group of Ralf Haiges at the University of Southern California. The image depicts characters from the popular web comic “Cyanide & Happiness” alongside some of the cyanide complexes synthesized. Read the full text of the article at 10.1002/chem.201700611.

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VANADIUM (6)
DENSITY FUNCTIONAL CALCULATIONS (5)
FLUORINE (5)
AZIDES (4)
COMPUTATIONAL CHEMISTRY (4)
NMR SPECTROSCOPY (4)
NOX (4)
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5H-IMIDAZO[4,5-F]-2,1,3-BENZOTHIADIAZOL (1)
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INFONA - science communication portal

Search results for: Monica Vasiliu

Die entscheidende Rolle von Sb₂F₁₀ bei der chemischen Synthese von F₂

The Crucial Role of Sb₂F₁₀ in the Chemical Synthesis of F₂

Protonation of CH₃N₃ and CF₃N₃ in Superacids: Isolation and Structural Characterization of Long‐Lived Methyl‐ and Trifluoromethylamino Diazonium Ions

Protonierung von CH₃N₃ und CF₃N₃ in Supersäuren: Isolierung und strukturelle Charakterisierung von langlebigen Methyl‐ und Trifluormethylamino‐Diazonium‐Ionen

Mechanism by which Tungsten Oxide Promotes the Activity of Supported V₂O₅/TiO₂ Catalysts for NO_X Abatement: Structural Effects Revealed by ⁵¹V MAS NMR Spectroscopy

Mechanism by which Tungsten Oxide Promotes the Activity of Supported V₂O₅/TiO₂ Catalysts for NO_X Abatement: Structural Effects Revealed by ⁵¹V MAS NMR Spectroscopy

Inside Back Cover: Mechanism by which Tungsten Oxide Promotes the Activity of Supported V₂O₅/TiO₂ Catalysts for NO_X Abatement: Structural Effects Revealed by ⁵¹V MAS NMR Spectroscopy (Angew. Chem. Int. Ed. 36/2019)

Innenrücktitelbild: Mechanism by which Tungsten Oxide Promotes the Activity of Supported V₂O₅/TiO₂ Catalysts for NO_X Abatement: Structural Effects Revealed by ⁵¹V MAS NMR Spectroscopy (Angew. Chem. 36/2019)

Frontispiece: Gas Phase Hydrolysis and Oxo‐Exchange of Actinide Dioxide Cations: Elucidating Intrinsic Chemistry from Protactinium to Einsteinium

Gas Phase Hydrolysis and Oxo‐Exchange of Actinide Dioxide Cations: Elucidating Intrinsic Chemistry from Protactinium to Einsteinium

How Energetic are cyclo‐Pentazolates?

α‐Fluoroalcohols: Synthesis and Characterization of Perfluorinated Methanol, Ethanol and n‐Propanol, and their Oxonium Salts

Front Cover: α‐Fluoroalcohols: Synthesis and Characterization of Perfluorinated Methanol, Ethanol and n‐Propanol, and their Oxonium Salts (Chem. Eur. J. 63/2018)

α‐Fluoroalcohols: Synthesis and Characterization of Perfluorinated Methanol, Ethanol and n‐Propanol, and their Oxonium Salts

Chemistry of the Highly Strained Alkene Perfluorobicyclo[2.2.0]hex‐1(4)‐ene

Characterization of Carbenes via Hydrogenation Energies, Stability, and Reactivity: What's in a Name?

Remarkably High Stability of Late Actinide Dioxide Cations: Extending Chemistry to Pentavalent Berkelium and Californium

Preparation and Characterization of Group 13 Cyanides

Cover Picture: Preparation and Characterization of Group 13 Cyanides (Chem. Eur. J. 38/2017)

Preparation and Characterization of Group 13 Cyanides

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