Modification of 2D Water That Contains Hexameric Units in Chair and Boat Conformations—A Contribution to the Structural Elucidation of Bulk Water

Structural and Stability Studies of a Series of para-Phenylenediboronic and para-Hydroxyphenylboronic Acid Cocrystals with Selected Aromatic N-Oxides

“…There is no literature-reported structure of phba, whereas in the case of pdba up to now its two solid-state forms are known. 14,37,38 It crystallizes either as 43 and (b) 3,10phenanthroline-3,10-N,N-dioxide (NO3′). 43 Scheme 1.…”

“…Cohesive Energy Values Calculated for Studied Cocrystals, Their Selected Components and Water-Free Hypothetic Structures a ΔE W = E coh − E coh anh , water energy contribution per 1 water molecule:E W = ΔE W /n W .b Anhydrous pdba structure. 37 c pdba structure with water molecules 38. …”

A mechanistic proposal for the protodeboronation of neat boronic acids: boronic acid mediated reaction in the solid state

“…3(B), identifies commonly occurring supramolecular structural features. [35][36][37][38][39][40][41][42][43][44][45][46][47][48][49][50][51][52][53][54] Such compounds were prepared under similar conditions and so their yields can reasonably be compared. Hall stated that boronic acids regularly form these interactions in the solid state.…”

“…The yield of the compound leading to this crystal structure was compared to that of all other boronic acids described in the same paper. [35][36][37][38][39][40][41][42][43][44][45][46][47][48][49][50][51][52][53][54] Such compounds were prepared under similar conditions and so their yields can reasonably be compared. It was found (see ESI †) that compounds which form crystal structures that satisfy the geometric requirements highlighted in Fig.…”

Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment

“…Moreover, no currently known theoretical model is able to precisely explain all of water’s atypical properties . According to the most recent research, bulk water can be approximated by the interactions of clusters of different size, predominantly (H 2 O) n , where n ≤ 10. − Data obtained from structural studies for such clusters may provide better insight into the nature and behavior of bulk water, − which may broaden our knowledge of certain interface interactions, e.g., the hydration shell of biomolecules. − There are a number of reported structures of small clusters in both the solid and gas phases, whereas large ones, which are mainly aggregates, have been reported only sparsely . It is noteworthy that water clusters are predominantly studied as guests in metal–organic frameworks (MOF), stabilized by strong and nondirectional electrostatic interactions, which cannot be compared with those in a biological environment.…”