The Triple-Bond Metathesis of Aryldiazonium Salts: A Prospect for Dinitrogen Cleavage

2015 ◽  
Vol 54 (43) ◽  
pp. 12814-12818 ◽  
Author(s):  
Aaron D. Lackner ◽  
Alois Fürstner
Keyword(s):  
Triple Bond ◽  
Dinitrogen Cleavage

The Triple-Bond Metathesis of Aryldiazonium Salts: A Prospect for Dinitrogen Cleavage

2015 ◽  
Vol 127 (43) ◽  
pp. 13005-13009 ◽  
Author(s):  
Aaron D. Lackner ◽  
Alois Fürstner
Keyword(s):  
Triple Bond ◽  
Dinitrogen Cleavage

Dinitrogen Cleavage and Hydrogenation by a Trinuclear Titanium Polyhydride Complex

Science ◽  
2013 ◽  
Vol 340 (6140) ◽  
pp. 1549-1552 ◽  
Author(s):  
Takanori Shima ◽  
Shaowei Hu ◽  
Gen Luo ◽  
Xiaohui Kang ◽  
Yi Luo ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Ambient Temperature ◽  
Triple Bond ◽  
Partial Hydrogenation ◽  
Computational Studies ◽  
X Ray ◽  
Temperature And Pressure ◽  
Dinitrogen Cleavage ◽  
Intramolecular Hydrogen

Both the Haber-Bosch and biological ammonia syntheses are thought to rely on the cooperation of multiple metals in breaking the strong N≡N triple bond and forming an N–H bond. This has spurred investigations of the reactivity of molecular multimetallic hydrides with dinitrogen. We report here the reaction of a trinuclear titanium polyhydride complex with dinitrogen, which induces dinitrogen cleavage and partial hydrogenation at ambient temperature and pressure. By 1H and 15N nuclear magnetic resonance, x-ray crystallographic, and computational studies of some key reaction steps and products, we have determined that the dinitrogen (N2) reduction proceeds sequentially through scission of a N2 molecule bonded to three Ti atoms in a μ-η1:η2:η2-end-on-side-on fashion to give a μ2-N/μ3-N dinitrido species, followed by intramolecular hydrogen migration from Ti to the μ2-N nitrido unit.

Nitrogen Atom Transfer Coupled with Dinitrogen Cleavage and Mo−Mo Triple Bond Formation

1996 ◽  
Vol 118 (3) ◽  
pp. 709-710 ◽  
Author(s):  
Catalina E. Laplaza ◽  
Adam R. Johnson ◽  
Christopher C. Cummins
Keyword(s):  
Nitrogen Atom ◽  
Triple Bond ◽  
Bond Formation ◽  
Atom Transfer ◽  
Dinitrogen Cleavage

On the Linear Geometry of Lanthanide Hydroxide (Ln—OH, Ln=La-Lu)

2019 ◽  
Author(s):  
Hassan Harb ◽  
Lee Thompson ◽  
Hrant Hratchian
Keyword(s):  
Triple Bond ◽  
Density Functional ◽  
Valence Electron ◽  
Density Functional Theory Calculations ◽  
Electron Configuration ◽  
Functional Theory ◽  
Key Species ◽  
Pi Orbitals ◽  
Lanthanide Hydroxide ◽  
Linear Geometry

Lanthanide hydroxides are key species in a variety of catalytic processes and in the preparation of corresponding oxides. This work explores the fundamental structure and bonding of the simplest lanthanide hydroxide, LnOH (Ln=La-Lu), using density functional theory calculations. Interestingly, the calculations predict that all structures of this series will be linear. Furthermore, these results indicate a valence electron configuration featuring an occupied sigma orbital and two occupied pi orbitals for all LnOH compounds, suggesting that the lanthanide-hydroxide bond is best characterized as a covalent triple bond.

On the Linear Geometry of Lanthanide Hydroxide (Ln—OH, Ln=La-Lu)

2019 ◽  
Author(s):  
Hassan Harb ◽  
Lee Thompson ◽  
Hrant Hratchian
Keyword(s):  
Triple Bond ◽  
Density Functional ◽  
Valence Electron ◽  
Density Functional Theory Calculations ◽  
Electron Configuration ◽  
Functional Theory ◽  
Key Species ◽  
Pi Orbitals ◽  
Lanthanide Hydroxide ◽  
Linear Geometry

Lanthanide hydroxides are key species in a variety of catalytic processes and in the preparation of corresponding oxides. This work explores the fundamental structure and bonding of the simplest lanthanide hydroxide, LnOH (Ln=La-Lu), using density functional theory calculations. Interestingly, the calculations predict that all structures of this series will be linear. Furthermore, these results indicate a valence electron configuration featuring an occupied sigma orbital and two occupied pi orbitals for all LnOH compounds, suggesting that the lanthanide-hydroxide bond is best characterized as a covalent triple bond.

scholarly journals Isolation of Neutral, Mono‐, and Dicationic B 2 P 2 Rings by Diphosphorus Addition to a Boron−Boron Triple Bond

2021 ◽  
Author(s):  
Tobias Brückner ◽  
Felipe Fantuzzi ◽  
Tom E. Stennett ◽  
Ivo Krummenacher ◽  
Rian D. Dewhurst ◽  
...  
Keyword(s):  
Triple Bond

A theory study about a novel neutral noble gas compound F4XeOsF4

2021 ◽  
Author(s):  
Kunqi Gao ◽  
Rui Zhao ◽  
Li Sheng
Keyword(s):  
Transition Metal ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Triple Bond ◽  
Noble Gas

The noble gas compound containing a triple bond of xenon and transition metal Os (i.e. F4XeOsF4, isomer A) is predicted using quantum-chemical calculations. At the MP2 level of theory, the...

A terminal triple bond toolbox

2014 ◽  
Vol 11 (2) ◽  
pp. 98-99 ◽  
Author(s):  
Victoria S Haritos
Keyword(s):  
Triple Bond
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