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1. Towards and understanding of CO2 microsolvation: Microwave spectroscopy of CO2 complexes with fluoroethylenes

   Peebles, Rebecca A.; Peebles, Sean A.; Anderton, Ashley M.; Christenholz, Cori L.; Dorris, Rachel E.; Trendell, William C. (August 2017, 254th American Chemical Society National Meeting)

   The need for a deep understanding of CO2 interactions with other mols. is significant given the importance of supercrit. CO2 (s.c.-CO2) as a green solvent, and interest in design of novel materials for CO2 capture and storage. Soly. of fluorinated compds. in s.c.-CO2 is generally higher than their hydrocarbon analogs and fluorination of hydrocarbon compds. improves "CO2-philicity". Although dissoln. of a compd. in s.c.-CO2 (or any solvent) is a complex process, much can be learned by systematic examn. of solute-solvent interactions as a function of solute mol. properties in dimers and other small clusters. In the present study, Fourier-transform microwave spectroscopy and Symmetry Adapted Perturbation Theory (SAPT) calcns. have been used to examine intermol. interactions between CO2 and a series of fluorinated ethylene mols. with varying degree and position of fluorination (1-3 F atoms). While 1-fluoro-, 1,1-difluoro- and 1,1,2-trifluoroethylene...CO2 complexes are planar (with two isomers obsd. for 1-fluoroethylene), cis-1,2-difluoroethylene...CO2 is nonplanar. Although lowest energy structures predicted by MP2/6-311++G(2d,2p) calcns. are not always in agreement with obsd. configurations, SAPT calcns. provide binding energies consistent with the obsd. structures. We are now extending these studies to trimers contg. one fluorinated ethylene with two CO2 "solvent" mols. in order to gain further insight into structural and energetic changes as a solvation shell is formed. 

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2. Cross Sections for Electron Collisions with the CO2 Molecule and CO2+ Molecular Ion

   https://doi.org/10.1063/5.0215796  

   Song, Mi-Young; Cho, Hyuck; Karwasz, Grzegorz P; Kokoouline, Viatcheslav; Tennyson, Jonathan (September 2024, Journal of Physical and Chemical Reference Data)
3. A Surface Ocean CO2 Reference Network, SOCONET and Associated Marine Boundary Layer CO2 Measurements

   https://doi.org/10.3389/fmars.2019.00400  

   Wanninkhof, Rik; Pickers, Penelope A.; Omar, Abdirahman M.; Sutton, Adrienne; Murata, Akihiko; Olsen, Are; Stephens, Britton B.; Tilbrook, Bronte; Munro, David; Pierrot, Denis; et al (July 2019, Frontiers in Marine Science)
4. Positronium collisions with O2 and CO2

   R. S. Wilde, H. B. (July 2021, Physical review)
5. Tunable and recyclable polyesters from CO2 and butadiene

   https://doi.org/10.1038/s41557-022-00969-2  

   Rapagnani, Rachel M.; Dunscomb, Rachel J.; Fresh, Alexandra A.; Tonks, Ian A. (July 2022, Nature Chemistry)

   Carbon dioxide is inexpensive and abundant, and its prevalence as waste makes it attractive as a sustainable chemical feedstock. Although there are examples of copolymerizations of CO2 with high-energy monomers, the direct copolymerization of CO2 with olefins has not been reported. Herein, an alternate route to functionalizable, recyclable polyesters derived from CO2, butadiene and hydrogen via an intermediary lactone, 3-ethyl-6-vinyltetrahydro-2H-pyran-2-one, is described. Catalytic ring-opening polymerization of the lactone by 1,5,7-triazabicyclo[4.4.0]dec-5-ene yields polyesters with molar masses up to 13.6 kg/mol and pendent vinyl sidechains that can undergo post-polymerization functionalization. The polymer has a low ceiling temperature of 138 ºC, allowing for facile chemical recycling, and is inherently biodegradable under aerobic aqueous conditions (OECD-301B protocol). These results mark the first example of a well-defined polyester derived from CO2, olefins and hydrogen, expanding access to new polymer feedstocks that were once considered unfeasible. 

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