Gas-phase observation and carbon monoxide substitution of cis-Cr(CO)4 (C2H4)2 by time-resolved IR absorption spectrometry

1987 ◽  
Vol 109 (4) ◽  
pp. 1252-1253 ◽  
Author(s):  
Bruce H. Weiller ◽  
Edward R. Grant
Keyword(s):  
Carbon Monoxide ◽  
Gas Phase ◽  
Absorption Spectrometry ◽  
Ir Absorption ◽  
Time Resolved ◽  
Phase Observation

scholarly journals Elementary Rate Processes in the Dissociative CO for C2H4 Substitution Reactions of Organometallic Complexes in the Gas Phase

1988 ◽  
Vol 9 (1-3) ◽  
pp. 63-73
Author(s):  
Steven J. Duray ◽  
Dawn M. Becher ◽  
Edward R. Grant
Keyword(s):  
Gas Phase ◽  
Rate Constants ◽  
Absorption Spectrometry ◽  
Organometallic Complexes ◽  
Chemical Transformations ◽  
Substitution Reactions ◽  
Time Resolved ◽  
Fast Reactions ◽  
Competitive Kinetics ◽  
Rate Processes

Dissociative substitution mechanisms abound in organometallic chemistry. For certain systems, such processes can be isolated in the gas phase, where, as sequences of elementary unimolecular and bimolecular reactions, their kinetics can convey information on fundamental energetics and dynamics of metal-centered chemical transformations. Methods of competitive kinetics, using time-resolved infrared absorption spectrometry, provide relative and absolute rate constants for comparatively fast reactions. Work yielding unimolecular decay and relative bimolecular production rate constants for selected bis- and tris-ethylene complexes of iron and chromium carbonyls is summarized together with a report of new work on the CO-for-C2H4 substitution kinetics of (C2H4)Cr(CO)5.

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.

Preliminary studies of UV photolysis of gas-phase CH3I in air: Time-resolved infrared identification of methanol and formaldehyde products

2021 ◽  
Vol 768 ◽  
pp. 138403
Author(s):  
Kendall D. Hughey ◽  
Russell G. Tonkyn ◽  
Warren W. Harper ◽  
Valerie L. Young ◽  
Tanya L. Myers ◽  
...  
Keyword(s):  
Gas Phase ◽  
Time Resolved ◽  
Uv Photolysis
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