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Seeking Extremes in Molecular Design: To What Extent May Two "Non-Bonded" Hydrogen Atoms be Squeezed in a Hydrocarbon? | LitMetric

Seeking Extremes in Molecular Design: To What Extent May Two "Non-Bonded" Hydrogen Atoms be Squeezed in a Hydrocarbon?

Chemphyschem

Faculty of Chemistry, Shahid Beheshti University, G.C. Evin, P.O. Box 19395-4716, Tehran, 19839, Iran.

Published: January 2016

A series of novel and possibly synthetically accessible rigid hydrocarbon structures is computationally introduced, maintaining ultrashort non-bonded hydrogen-hydrogen (H⋅⋅⋅H) contacts smaller than 1.2 Å. These are the shortest non-bonded H⋅⋅⋅H contacts reported to date, bypassing previous world records of both experimentally observed, 1.56 Å, and computationally derived, 1.4 Å, H⋅⋅⋅H contacts in any stable molecular structure.

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Source
http://dx.doi.org/10.1002/cphc.201501002DOI Listing

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