TY - JOUR
T1 - Kinetic study of the gas-phase reaction of O3 with three unsaturated alcohols
AU - Li, Weiran
AU - Chen, Yi
AU - Tong, Shengrui
AU - Guo, Yucong
AU - Zhang, Yunhong
AU - Ge, Maofa
N1 - Publisher Copyright:
© 2018
PY - 2018/9
Y1 - 2018/9
N2 - Rate constants for the reactions of ozone with 1-octen-3-ol, 1-nonen-3-ol and 1-nonen-4-ol have been determined at 298 ± 1 K and atmospheric pressure for the first time. The experiments were performed in a 100-L FEP Teflon film bag using absolute rate method; the rate constants were (1.91 ± 0.19) × 10− 17, (1.89 ± 0.20) × 10− 17, and (0.83 ± 0.08) × 10− 17 cm3/(molecule·sec) for 1-octen-3-ol, 1-nonen-3-ol, and 1-nonen-4-ol, respectively. The rate constants have been compared with those of unsaturated alcohols structural homologs, and used to estimate the reaction reactivity. The electronegativity of carbon–carbon double bond was calculated by atomic charges analysis. The calculated results show that the electronic effect of the lone pair electrons of hydroxyl oxygen is the main cause of the difference in rate coefficient. According to the obtained rate constants, the atmospheric lifetimes of studied unsaturated alcohols were also estimated, which indicates that the reaction with ozone is an important loss pathway in the atmosphere, especially in polluted areas.
AB - Rate constants for the reactions of ozone with 1-octen-3-ol, 1-nonen-3-ol and 1-nonen-4-ol have been determined at 298 ± 1 K and atmospheric pressure for the first time. The experiments were performed in a 100-L FEP Teflon film bag using absolute rate method; the rate constants were (1.91 ± 0.19) × 10− 17, (1.89 ± 0.20) × 10− 17, and (0.83 ± 0.08) × 10− 17 cm3/(molecule·sec) for 1-octen-3-ol, 1-nonen-3-ol, and 1-nonen-4-ol, respectively. The rate constants have been compared with those of unsaturated alcohols structural homologs, and used to estimate the reaction reactivity. The electronegativity of carbon–carbon double bond was calculated by atomic charges analysis. The calculated results show that the electronic effect of the lone pair electrons of hydroxyl oxygen is the main cause of the difference in rate coefficient. According to the obtained rate constants, the atmospheric lifetimes of studied unsaturated alcohols were also estimated, which indicates that the reaction with ozone is an important loss pathway in the atmosphere, especially in polluted areas.
KW - Atmospheric lifetime
KW - Ozone
KW - Rate constant
KW - Unsaturated alcohols
UR - http://www.scopus.com/inward/record.url?scp=85046145241&partnerID=8YFLogxK
U2 - 10.1016/j.jes.2018.04.009
DO - 10.1016/j.jes.2018.04.009
M3 - Article
C2 - 30195687
AN - SCOPUS:85046145241
SN - 1001-0742
VL - 71
SP - 292
EP - 299
JO - Journal of Environmental Sciences (China)
JF - Journal of Environmental Sciences (China)
ER -