Abstract
Reaction stoichiometry, dynamic light scattering, and DFT are used to explore tertiary ammonium bicarbonates that exist as ideal solutes and those that self-assemble. Self-assembling tertiary amines featured organic surfaces beyond a through-space defined sphere around the charge center. Like-charge hydrogen-bonded ion pairs (or anti-electrostatic hydrogen bonding (AEHB)) also play a role in the self-assembly and provide the first evidence of this bonding motif by bicarbonate in aqueous solution. A single crystal neutron structure of a tertiary ammonium bicarbonate featuring a bicarbonate dimer is presented.
| Original language | English |
|---|---|
| Pages (from-to) | 10934-10937 |
| Number of pages | 4 |
| Journal | Chemical Communications |
| Volume | 53 |
| Issue number | 79 |
| DOIs | |
| State | Published - 2017 |
Bibliographical note
Publisher Copyright:© 2017 The Royal Society of Chemistry.
Funding
The authors acknowledge research conducted at INL was supported by the U.S. Department of Energy (DOE) through contract DE-AC07-05ID14517 via the Laboratory Directed Research and Development Fund and Calculations were performed using INL’s High-Performance Computing Center. Research conducted at ORNL’s Spallation Neutron Source through contract DE-AC05-00OR22725 and was sponsored by the Scientific User Facilities Division of Office of Basic Energy Sciences, U.S. DOE. The authors also thank Dr Frank Weinhold and Dr Roger Klein for discussions concerning AEHB and acknowledge Dr Frederick Stewart and Dr Jennifer Klare for valuable discussions.
| Funders | Funder number |
|---|---|
| Scientific User Facilities Division of Office of Basic Energy Sciences | |
| U.S. DOE | |
| U.S. Department of Energy | DE-AC05-00OR22725, DE-AC07-05ID14517 |