Chirality-dependent balance between hydrogen bonding and London dispersion in isolated (+/-)-1-indanol clusters

The aggregation behavior of racemic and enantiopure 1-indanol has been studied by FTIR spectroscopy, resonant ion dip IR spectroscopy, and spontaneous Raman scattering in supersonic jets. This triple experimental approach, augmented by homology to related molecular fragments and dispersion-corrected DFT predictions, allows disentangling the complex spectroscopic signature in the OH stretch range. Evidence for chirality-sensitive aggregation via isolated OH center dot center dot center dot pi bonds in competition with cooperative center dot center dot center dot OH center dot center dot center dot OH center dot center dot center dot pi patterns is collected. An accurate description of London dispersion forces provides the key to its explanation.