סמינר בכימיה פיזיקלית: Oh, the wonderful things pristine graphene can do!

Zoom: https://tau-ac-il.zoom.us/j/88394286155

​Abstract:

Based on computational predictions,1–4 we show that pristine graphene can:

1. reversibly planarize cyclooctatetraene, creating an antiaromatic/nonaromatic switch;1

2. catalyze the tub-to-tub inversion in cyclooctatetraene derivatives;2

3. catalyze the bowl-to-bowl inversion in geodesic aromatic compounds;3 and

4. catalyze the racemization of biphenyl and BINOL.4

Following these computational predictions,5 we recently showed experimentally that single-layer graphene could efficiently catalyze the racemization of axially chiral BINOL. An energy decomposition analysis shows that these processes are driven by dispersion and electrostatic interactions. We proceed to show that other 2D materials such as graphane and hexagonal boronnitride can catalyze these processes.

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