Kinetics of CN radical reactions with selected molecules at room temperature

Lichtin, D. A.; Lin, Ming‐Chang

doi:10.1016/0301-0104(85)85109-0

Cited by 55 publications

(16 citation statements)

References 22 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The kinetics of the CN radical are of interest due to the role of this molecule in combustion chemistry, especially in relation to formation and removal of NO x . CN reactions with a variety of molecules have been previously studied, including both saturated and unsaturated hydrocarbons [1][2][3][4][5][6][7], O 2 [1,[8][9][10][11][12][13][14][15][16], NO [15,17], and NO 2 [16,17]. Past work in our laboratory has included study of CN reactions with O 2 [18,19], NO 2 [20], OCS [21], CS 2 [22], SO 2 [22], and HCNO [23,24].…”

Section: Introductionmentioning

confidence: 99%

Reaction kinetics of the CN radical with primary alcohols

Janssen

Hershberger

2015

Chemical Physics Letters

View full text Add to dashboard Cite

The kinetics of the reactions of CN radicals with several small primary alcohol molecules were studied by transient infrared laser absorption spectroscopy. Direct time-resolved detection of CN was used to determine total rate constants. In addition, HCN and DCN products were detected in order to estimate the branching ratios of the CN + CH 3 OH reaction. We find that abstraction of an alkyl hydrogen atom dominates the CN + CH 3 OH reaction, but a small, ~8% yield of hydroxyl hydrogen abstraction is also observed.

show abstract

Section: Introductionmentioning

confidence: 99%

Reaction kinetics of the CN radical with primary alcohols

Janssen

Hershberger

2015

Chemical Physics Letters

View full text Add to dashboard Cite

show abstract

“…The kinetics of the CN radical are of interest due to the role of this molecule in combustion chemistry and atmospheric chemistry. Previous kinetic studies of CN reactions include measurements with a variety of molecules such as saturated and unsaturated hydrocarbons [1][2][3][4][5][6][7][8][9][10][11][12][13], O 2 [1,[14][15][16][17][18][19][20][21][22], NO [21,23], and NO 2 [22,23]. Past work in our laboratory has included study of CN reactions with O 2 [24,25], NO 2 [26], OCS [27], CS 2 [28], SO 2 [28], HCNO [29,30], small primary alcohols [31], and chlorinated methanes including CH 3 Cl [32].…”

Section: Introductionmentioning

confidence: 99%

Reaction kinetics of the CN radical with methyl bromide

Hodny

Hershberger

2016

Chemical Physics Letters

View full text Add to dashboard Cite

The kinetics of the CN+CH 3 Br reaction were studied using transient infrared laser absorption spectroscopy to detect CN reactants and HCN products. This reaction has a rate constant of k = (2.20±0.6)10-12 exp (453±98/T) cm 3 molecule-1 s-1 over the range 298-523 K. Hydrogen abstraction to produce HCN + CH 2 Br is only a minor reaction product, with a branching fraction of 0.12±0.02. Other product channels, including BrCN + CH 3 , CH 2 CN + HBr, CH 3 CN + Br are likely. An upper limit of 0.01 was established for the HBr yield. These results are in qualitative agreement with recent ab initio calculations.

show abstract

“…[9][10][11] Many studies on the kinetics of the reactions of CN with numerous species have been reported, including hydrogen, 12,13 hydrogen halides, 12 oxygen, [12][13][14][15][16] nitrogen oxides, [16][17][18][19][20] and saturated [21][22][23][24][25] and unsaturated hydrocarbons. 20,26 In particular, the binary collisions of CN with unsaturated hydrocarbons got considerable attention in astrochemistry, 27 because certain significant nitriles and cyanopolyynes can be formed via collision of CN with unsaturated hydrocarbons, [28][29][30][31] and finally, these nitriles and cyanopolyynes can be hydrolyzed and reacted ultimately to amino acids, one of the basic ingredients of life.…”

Section: Introductionmentioning

confidence: 99%

Combined DFT, QCISD(T), and G2 mechanism investigation for the reactions of carbon monophosphide CP with unsaturated hydrocarbons allene CH₂CCH₂ and methylacetylene CH₃CCH

et al. 2007

View full text Add to dashboard Cite

The possible reaction product distribution and mechanism of carbon monophosphide CP with unsaturated hydrocarbons allene CH(2)CCH(2) and methylacetylene CH(3)CCH are investigated at the B3LYP/6-311+G(d,p), QCISD(T)/6-311++G(2df,2p), and G2 levels of theory. Corresponding reactants, products, intermediates, and interconversion and dissociation transition states are located on the reaction potential energy profiles. Computation results show that in the reaction of CP with CH(2)CCH(2) the dominant reaction product should be species CH(2)CCHCP. Also, we can suggest species HCCCH(2)CP as a secondary reaction product despite of only minor contribution to reaction products. In the reaction of CP with CH(3)CCH, the primary and secondary products are suggested to be two important molecules HCCCP and CH(3)CCCP, respectively. The predicted mechanisms for the two reactions are not in parallel with the reactions of CN with allene CH(2)CCH(2) and methylacetylene CH(3)CCH given in previous studies. The present calculations provide some useful information for future possible experimental isolation and observation for some interesting unsaturated carbon-phosphorus-bearing species.

show abstract

Kinetics of CN radical reactions with selected molecules at room temperature

Cited by 55 publications

References 22 publications

Reaction kinetics of the CN radical with primary alcohols

Reaction kinetics of the CN radical with primary alcohols

Reaction kinetics of the CN radical with methyl bromide

Combined DFT, QCISD(T), and G2 mechanism investigation for the reactions of carbon monophosphide CP with unsaturated hydrocarbons allene CH₂CCH₂ and methylacetylene CH₃CCH

Contact Info

Product

Resources

About

Kinetics of CN radical reactions with selected molecules at room temperature

Cited by 55 publications

References 22 publications

Reaction kinetics of the CN radical with primary alcohols

Reaction kinetics of the CN radical with primary alcohols

Reaction kinetics of the CN radical with methyl bromide

Combined DFT, QCISD(T), and G2 mechanism investigation for the reactions of carbon monophosphide CP with unsaturated hydrocarbons allene CH2CCH2 and methylacetylene CH3CCH

Contact Info

Product

Resources

About

Combined DFT, QCISD(T), and G2 mechanism investigation for the reactions of carbon monophosphide CP with unsaturated hydrocarbons allene CH₂CCH₂ and methylacetylene CH₃CCH