Hydrogen bonding in alkali metal cation-bound i-motif-like dimers of 1-methyl cytosine: an IRMPD spectroscopic and computational study

Abstract

The structures of alkali metal cation bound 1-methylcytosine (1-mCyt) dimers were explored using vibrational spectroscopy in the gas phase and by computational methods. A transition from structures absent of hydrogen bonding for the light alkali metal cations to those with predominant hydrogen bonding for the larger cations was observed.