Deactivation of carbon monoxide (.nu. = 1) by n-hydrogen and n-deuterium in liquid argon: a comparison with energy transfer in the gas phase

1986 ◽  
Vol 90 (21) ◽  
pp. 5105-5108 ◽  
Author(s):  
Donald W. Lupo ◽  
Donald Lucas
Keyword(s):  
Carbon Monoxide ◽  
Energy Transfer ◽  
Gas Phase ◽  
Liquid Argon

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 Reactions of Recoil Sulfur Atoms with Carbon Monoxide and Carbon Dioxide1

1964 ◽  
Vol 68 (2) ◽  
pp. 318-322 ◽  
Author(s):  
Edward K. C. Lee ◽  
Y. N. Tang ◽  
F. S. Rowland
Keyword(s):  
Carbon Monoxide ◽  
Gas Phase ◽  
Gas Phase Reactions

Characterizing gaseous peptide structure with action-EET and simulated annealing

2015 ◽  
Vol 17 (39) ◽  
pp. 25822-25827 ◽  
Author(s):  
Nathan G. Hendricks ◽  
Ryan R. Julian
Keyword(s):  
Molecular Dynamics ◽  
Energy Transfer ◽  
Simulated Annealing ◽  
Gas Phase ◽  
Peptide Structure

Distance-sensitive energy transfer and molecular dynamics are used to generate experimentally corroborated structures for peptides in the gas phase.

COMPARATIVE ANALYSIS OF THE CONTENT OF TOXIC SUBSTANCES IN THE GAS PHASE OF AEROSOL OF CIGARETTES AND HEATED TOBACCO STICKS FOR ELECTRIC TOBACCO HEATING SYSTEMS

2020 ◽  
Author(s):  
С.Н. МЕДВЕДЕВА ◽  
Т.А. ПЕРЕЖОГИНА ◽  
Е.В. ГНУЧИХ
Keyword(s):  
Thermal Decomposition ◽  
Carbon Monoxide ◽  
Comparative Analysis ◽  
Gas Phase ◽  
Control Sample ◽  
Toxic Substances ◽  
Heating Systems

Представлены результаты анализа содержания монооксида углерода, бензола, 1,3-бутадиена в газовой фазе аэрозоля (ГФА) образцов нагреваемых табачных палочек (стики) для электрических систем нагревания табака, пяти марок коммерческих сигарет, контрольной сигареты 3R4F с помощью тестирования на курительной машине в стандартном режиме прокуривания ISO и интенсивном ISO Intense. Установлено значительное снижение содержания монооксида углерода, бензола и 1,3-бутадиена в аэрозоле образцов стиков по режиму ISO Intense и ISO. Количество образующегося монооксида углерода в ГФА образцов стиков составляет 2% от его содержания в ГФА образца контрольных сигарет 3R4F, что подтверждает отсутствие процессов термического разложения (пиролиза) табака. Определено, что в ГФА образцов стиков содержится значительно меньше вредных и потенциально опасных соединений. Установлено снижение содержания бензола и 1,3-бутадиена более чем на 99% по сравнению с контрольным образцом 3R4F и пятью образцами популярных в России марок сигарет. The results of the analysis of the content of carbon monoxide, benzene, 1,3-butadiene in the aerosol gas phase (AGPh) of heated tobacco sticks for electric tobacco heating systems, five brands of commercial cigarettes, 3R4F control cigarette using testing on a Smoking machine in standard ISO smoking mode and ISO Intense are presented. A significant decrease in the content of carbon monoxide, benzene and 1,3-butadiene in stick aerosols according to the ISO Intense and ISO modes was found. The amount of carbon monoxide produced in the effluent AGPh is 2% of its content in the AGPh of 3R4F control cigarettes, which confirms the absence of thermal decomposition (pyrolysis) of tobacco. It was determined that the AGPh of verses contains significantly fewer harmful and potentially dangerous compounds. A decrease in the content of benzene and 1,3-butadiene was found by more than 99% compared to the control sample of 3R4F cigarettes and five brands of cigarettes popular in Russia.

Solubility of Helium in Liquid Argon, Oxygen, and Carbon Monoxide.

1966 ◽  
Vol 11 (4) ◽  
pp. 537-539 ◽  
Author(s):  
J. E. Sinor ◽  
Fred Kurata
Keyword(s):  
Carbon Monoxide ◽  
Liquid Argon

Laboratory measurements of gas‐phase reactions of polyatomic carbon ions C+n(n=1–6) and CnH+(n=2–5) with carbon monoxide

1987 ◽  
Vol 87 (12) ◽  
pp. 6934-6938 ◽  
Author(s):  
Diethard K. Bohme ◽  
Stanisl/aw Wl/odek ◽  
Leslie Williams ◽  
Leonard Forte ◽  
Arnold Fox
Keyword(s):  
Carbon Monoxide ◽  
Gas Phase ◽  
Carbon Ions ◽  
Laboratory Measurements ◽  
Gas Phase Reactions
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