Nitrogen and Carbon Monoxide as Nucleophihc Reagents in Gas Phase Displacement Reactions: a Novel Means of Nitrogen Fixation

1971 ◽  
Vol 231 (26) ◽  
pp. 204-205 ◽  
Author(s):  
DAVID HOLTZ ◽  
J. L. BEAUCHAMP
Keyword(s):  
Carbon Monoxide ◽  
Nitrogen Fixation ◽  
Gas Phase ◽  
Phase Displacement ◽  
Displacement Reactions

scholarly journals THE RELATIVE ACCEPTOR POWER OF BORON TRIHALIDES AND BORANE TOWARD TRIMETHYLAMINE

1963 ◽  
Vol 41 (11) ◽  
pp. 2898-2902 ◽  
Author(s):  
J. M. Miller ◽  
M. Onyszchuk
Keyword(s):  
Dipole Moment ◽  
Gas Phase ◽  
Theoretical Calculations ◽  
Phase Displacement ◽  
Infrared Measurements ◽  
Displacement Reactions

Gas phase displacement reactions of boron trihalides from their trimethylamine adducts show that the order of acceptor power is: BBr3 > BCl3 > BF3 > 1/2(B2H6). This order agrees with recent theoretical calculations and dipole moment, calorimetric, and infrared measurements on boron trihalide complexes with other reference bases.

Investigation of Adsorption Effect of Carbon Monoxide on Coniine: A DFT Study

2021 ◽  
Vol 17 ◽  
Author(s):  
Siyamak Shahab ◽  
Masoome Sheikhi ◽  
Mehrnoosh Khaleghian ◽  
Marina Murashko ◽  
Mahin Ahmadianarog ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Gas Phase ◽  
Density Functional ◽  
Energy Gap ◽  
Adsorption Effect ◽  
Chemical Shift Tensors ◽  
Solvent Water ◽  
Donor And Acceptor ◽  
Before And After ◽  
Electron Donor And Acceptor

: For the first time in the present study, the non-bonded interaction of the Coniine (C8H17N) with carbon monoxide (CO) was investigated by density functional theory (DFT/M062X/6-311+G*) in the gas phase and solvent water. The adsorption of the CO over C8H17N was affected on the electronic properties such as EHOMO, ELUMO, the energy gap between LUMO and HOMO, global hardness. Furthermore, chemical shift tensors and natural charge of the C8H17N and complex C8H17N/CO were determined and discussed. According to the natural bond orbital (NBO) results, the molecule C8H17N and CO play as both electron donor and acceptor at the complex C8H17N/CO in the gas phase and solvent water. On the other hand, the charge transfer is occurred between the bonding, antibonding or nonbonding orbitals in two molecules C8H17N and CO. We have also investigated the charge distribution for the complex C8H17N/CO by molecular electrostatic potential (MEP) calculations using the M062X/6-311+G* level of theory. The electronic spectra of the C8H17N and complex C8H17N/CO were calculated by time dependent DFT (TD-DFT) for investigation of the maximum wavelength value of the C8H17N before and after the non-bonded interaction with the CO in the gas phase and solvent water. Therefore, C8H17N can be used as strong absorbers for air purification and reduce environmental pollution.

The gas phase reactivity of the dimethylchloronium ion with alkylbenzenes

1981 ◽  
Vol 59 (15) ◽  
pp. 2412-2416 ◽  
Author(s):  
John A. Stone ◽  
Margaret S. Lin ◽  
Jeffrey Varah
Keyword(s):  
High Pressure ◽  
Gas Phase ◽  
Mass Spectrometer ◽  
Aromatic Hydrocarbons ◽  
Relative Rate ◽  
Ion Source ◽  
Nucleophilic Displacement ◽  
Rate Of Reaction ◽  
Displacement Reactions ◽  
Bonded Complexes

The reactivity of the dimethylchloronium ion with a series of aromatic hydrocarbons has been studied in a high pressure mass spectrometer ion source using the technique of reactant ion monitoring. Benzene is unreactive but all others, from toluene to mesitylene, react by CH3+ transfer to yield σ-bonded complexes. The relative rate of reaction increases with increasing exothermicity in line with current theories of nucleophilic displacement reactions.

scholarly journals NifA- and CooA-Coordinated cowN Expression Sustains Nitrogen Fixation by Rhodobacter capsulatus in the Presence of Carbon Monoxide

2014 ◽  
Vol 196 (19) ◽  
pp. 3494-3502 ◽  
Author(s):  
M.-C. Hoffmann ◽  
Y. Pfander ◽  
M. Fehringer ◽  
F. Narberhaus ◽  
B. Masepohl
Keyword(s):  
Carbon Monoxide ◽  
Nitrogen Fixation ◽  
Rhodobacter Capsulatus
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