A crossed beam investigation of the reactions of tricarbon molecules, C3(X1Σg+),with acetylene, C2H2(X1Σg+), ethylene, C2H4(X1Ag), and benzene, C6H6(X1A1g)

被引:35
作者
Gu, Xibin [1 ]
Guo, Ying [1 ]
Mebel, Alexander M. [2 ]
Kaiser, Ralf I. [1 ]
机构
[1] Univ Hawaii Manoa, Dept Chem, Honolulu, HI 96822 USA
[2] Florida Int Univ, Dept Chem & Biochem, Miami, FL 33199 USA
关键词
D O I
10.1016/j.cplett.2007.10.041
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Crossed molecular beams experiments have been conducted to examine the chemical dynamics of the reactions of the tricarbon molecule, C-3(X-1 Sigma(+)(g)), with acetylene, C2H2(X-1 Sigma(+)(g)), ethylene, C2H4(X(1)A(g)), and benzene, C6H6(X(1)A(1g)). All reactions proceeded via a tricarbon versus atomic hydrogen exchange pathway and are defined by characteristic threshold energies of 80-90 kJ mol(-1) (acetylene), 40-50 kJ mol(-1) (ethylene), and 90-110 kJ mol(-1) (benzene) yielding the 2,4-pentadiynylidyne radical, HCCCCC(X-2 Pi) (acetylene), 1,2,3,4-pentatetraene-yl-1, HCCCCCH2((XB1)-B-2) (ethylene), and phenyltricarbon, C6H5CCC(X(2)A) (benzene) plus atomic hydrogen. Our findings suggest that tricarbon molecules can react in high temperature combustion flames with unsaturated hydrocarbon molecules to form hydrogen-deficient radicals. Published by Elsevier B.V.
引用
收藏
页码:44 / 52
页数:9
相关论文
共 36 条
[1]  
[Anonymous], THESIS U CALIFORNIA
[2]   A combined crossed molecular beam and ab initio study of the reactions C2(X1Σg+, a3Πu)+C2H4 → n-C4H3(X2A′)+H(2S1/2) [J].
Balucani, N ;
Mebel, AM ;
Lee, YT ;
Kaiser, RI .
JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (43) :9813-9818
[3]   Crossed molecular beam reactive scattering: from simple triatomic to multichannel polyatomic reactions [J].
Balucani, Nadia ;
Capozza, Giovanni ;
Leonori, Francesca ;
Segoloni, Enrico ;
Casavecchia, Piergiorgio .
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 2006, 25 (1-2) :109-163
[4]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[5]   Gaussian-3 theory using coupled cluster energies [J].
Curtiss, LA ;
Raghavachari, K ;
Redfern, PC ;
Baboul, AG ;
Pople, JA .
CHEMICAL PHYSICS LETTERS, 1999, 314 (1-2) :101-107
[6]   Triplet 1,3-diphenylpropynylidene (Ph-C-C-C-Ph) [J].
DePinto, Jeffrey T. ;
deProphetis, Wendy A. ;
Menke, Jessica L. ;
McMahon, Robert J. .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (08) :2308-2315
[7]   Growth and mechanistic studies of diamond formation by chemical beam epitaxy using methyl and acetylene precursors [J].
Foord, JS ;
Loh, KP ;
Singh, NK ;
Jackman, RB ;
Davies, GJ .
JOURNAL OF CRYSTAL GROWTH, 1996, 164 (1-4) :208-213
[8]  
Frisch, 2016, GAUSSIAN16 REVISIONC
[9]  
GORDON AG, 1974, SPECTROSCOPY FLAMES
[10]   Design and characteristics of a high-precision chopper wheel motor driver [J].
Gu, XB ;
Guo, Y ;
Chan, H ;
Kawamura, E ;
Kaiser, RI .
REVIEW OF SCIENTIFIC INSTRUMENTS, 2005, 76 (11) :1-3