Proton conductive composite electrolytes in the KH2PO4–H3PW12O40 system for H2/O2 fuel cell operation

Ping-Pong Protons: How Hydrogen-Bonding Networks Facilitate Heterolytic Bond Cleavage in Peptide Radical Cations

“…Their ubiquitous presence in diverse chemistry impacts such disparate processes as adsorption, 1 luminescence, 2 and superconductivity. 3 Active research directions focused on developing new medicines, 4,5 fuel cells, 6 composite materials, 7 as well as other molecular systems 8−17 further reflect the importance of hydrogen bonding. Of particular interest is the derivation of details surrounding the role of hydrogen-bonding networks in physiological processes, a task frequently accomplished in the laboratory using a variety of experimental techniques including NMR, X-ray crystallography, circular dichroism, and Raman spectroscopy.…”

“…Their ubiquitous presence in diverse chemistry impacts such disparate processes as adsorption, luminescence, and super­conductivity . Active research directions focused on developing new medicines, , fuel cells, composite materials, as well as other molecular systems − further reflect the importance of hydrogen bonding. Of particular interest is the derivation of details surrounding the role of hydrogen-bonding networks in physiological processes, a task frequently accomplished in the laboratory using a variety of experimental techniques including NMR, X-ray crystallography, circular dichroism, and Raman spectroscopy. − The coupling of these experimental methods with computational studies (e.g., electronic structure theory or molecular dynamics simulations) provides additional avenues and support for data interpretation and rationalization. ,, For instance, joint experimental/theoretical studies have demonstrated that small changes in hydrogen-bonding networks can profoundly affect both biomolecular structure and the preferred reaction pathway. , Mass spectrometry (MS) studies have also played a key role in uncovering details associated with the structure of hydrogen-bonding networks, including proton movements and their associated energetics. ,− Supplementing MS experiments with Kohn–Sham density functional theory (DFT) computations may assist in the clarification and explanation of experimental observations and reveal additional details that further clarify the role of hydrogen-bonding networks in the dissociation of gaseous radical cation peptides.…”