Abstract:Cyclopropenone (HCCOCH, “CPN”)
is an exotic quasi-aromatic
cyclic carbene that abounds in the interstellar medium (ISM). Astronomical
observations suggest that (i) stagnate CPN exhibits a tendency to
polymerize and that (ii) interactions may occur between CPN and water
that is also ubiquitous in the ISM. In this light, density functional
theory investigations reveal cooperative hydrogen bonding, which leads
to stable polymeric conformations of (CPN)
n
, tracked up to n = 14. Stable agglomerations with
water, h… Show more
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