Hydrogen bonding in cyclic complexes of carboxylic acid–sulfuric acid and their atmospheric implications

作者: Hailiang Zhao , Qun Zhang , Lin Du

DOI: 10.1039/C6RA16782A

关键词: Interaction energyAtoms in moleculesHydrogen bondCrystallographyInorganic chemistryBinding energyChemistryRing (chemistry)Glyoxylic acidCarboxylic acidSulfuric acid

摘要: … (sulfuric acid) have been investigated with density functional theory, atoms in molecules and localized molecular orbital … The carboxylic acid–sulfuric acid complexes possess larger …

参考文章(73)
Barbara Ervens, Annmarie G. Carlton, Barbara J. Turpin, Katye E. Altieri, Sonia M. Kreidenweis, Graham Feingold, Secondary organic aerosol yields from cloud‐processing of isoprene oxidation products Geophysical Research Letters. ,vol. 35, ,(2008) , 10.1029/2007GL031828
U. Koch, P. L. A. Popelier, CHARACTERIZATION OF C-H-O HYDROGEN-BONDS ON THE BASIS OF THE CHARGE-DENSITY The Journal of Physical Chemistry. ,vol. 99, pp. 9747- 9754 ,(1995) , 10.1021/J100024A016
X HUANG, M HU, L HE, X TANG, Chemical characterization of water-soluble organic acids in PM2.5 in Beijing, China Atmospheric Environment. ,vol. 39, pp. 2819- 2827 ,(2005) , 10.1016/J.ATMOSENV.2004.08.038
Angela K. Wilson, Thom H. Dunning, The HSO−SOH Isomers Revisited:  The Effect of Tight d Functions† The Journal of Physical Chemistry A. ,vol. 108, pp. 3129- 3133 ,(2004) , 10.1021/JP037160S
R. Zhang, Getting to the Critical Nucleus of Aerosol Formation Science. ,vol. 328, pp. 1366- 1367 ,(2010) , 10.1126/SCIENCE.1189732
P. L. A. Popelier, Characterization of a Dihydrogen Bond on the Basis of the Electron Density Journal of Physical Chemistry A. ,vol. 102, pp. 1873- 1878 ,(1998) , 10.1021/JP9805048
L. A. Curtiss, M. Blander, Thermodynamic properties of gas-phase hydrogen-bonded complexes Chemical Reviews. ,vol. 88, pp. 827- 841 ,(1988) , 10.1021/CR00088A002
Angela K. Wilson, Thom H. Dunning, SO2 revisited: Impact of tight d augmented correlation consistent basis sets on structure and energetics Journal of Chemical Physics. ,vol. 119, pp. 11712- 11714 ,(2003) , 10.1063/1.1624591