Abstract Density functional theory was used to elucidate the mechanism and the pericyclicity of chromium‐catalyzed bicyclization reactions that purportedly involve 8‐electron electrocyclization steps. Our computational results indicate that these reactions do indeed proceed via 8‐electron electrocyclization rather than an alternative pathway involving 4‐electron electrocyclization followed by Cope rearrangement. The role of C=[M] groups on the electrocyclization, specifically its pericyclicity, was examined in detail using modern theoretical tools.
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In-situ linker doping as an effective means to tune zeolitic-imidazolate framework-8 (ZIF-8) fillers in mixed-matrix membranes for propylene/propane separation
- Award ID(s):
- 1510530
- PAR ID:
- 10201974
- Date Published:
- Journal Name:
- Journal of Membrane Science
- Volume:
- 596
- Issue:
- C
- ISSN:
- 0376-7388
- Page Range / eLocation ID:
- 117689
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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