SEEKING HYDROGEN-BONDS - WITH AND WITHOUT NEUTRON-DIFFRACTION

The hydrogen-bond interaction can be studied using a variety of spectr oscopic and crystallographic techniques, as well as theoretical studie s based on quantum chemical principles, semi-empirical procedures, and statistical interpretations. A degree of specificity, along with flex ibility, provides H-bonded systems with a variety of unusual and inter esting physical, chemical and biological properties. Neutron diffracti on is the method of choice For obtaining high-precision data on hydrog en-atom positions and hydrogen-bond stereochemistry in crystals. Neutr on inelastic scattering can provide information on the dynamics of H-b onded systems. High-precision neutron diffraction studies on a variety of crystal hydrates, amino acids and small peptides, development of s emi-empirical potential functions for bent-hydrogen bonds, and statist ical analysis of H-bond populations associated with various donor and acceptor groups are some of the investigations on hydrogen bonding, ca rried out at Trombay during the past three decades.