Stability of Hydrogen Bonds in the Metal Guanidinium Formate Hybrid Perovskites: A Single-Crystal Neutron Diffraction Study

We report the direct probing of the N-H center dot center dot center dot O bonds in the metal guanidinium formate hybrid perovskites. N-H center dot center dot center dot O bonds are no strangers to promoting disorder, as found in supramolecules and in certain multiferroic compounds. While the demand for new multiferroic materials is continuing to increase, the predictions based on ab initio methods are not in a matured stage for multiferroic MOFs. This rare report for guanidinium-based materials, based on single-crystal neutron diffraction, establishes stable N-H center dot center dot center dot O bonds, providing no room for proton migration/disorder. Hence, facilitating potential theoretical/ experimental studies and by the simultaneous elimination of any disorder-induced physical phenomenon, this work increases the understanding of multiferroic attributions in a promised multiferroic metal-organic framework.