Article ID Journal Published Year Pages File Type
5381593 Chemical Physics Letters 2013 22 Pages PDF
Abstract

- Interaction of HO2 with selected RCOOH (R = CH3, H, Cl and F) is studied.
- Global minimum geometry is planar with two strong H-bonds between HO2 and RCOOH.
- The calculated values follow a trend with electron donating behavior of R-group.
- Hydrogen bond donating ability of the HO2 radical plays a dominant role when R = CH3.
- For R = F, hydrogen bond donating abilities of both monomers are equally important.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Hydrogen bonding interaction between HO2 radical and selected organic acids, RCOOH (R = CH3, H, Cl and F)
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