Crystal and molecular structure of hordenine monohydrogenphosphate dihydrogenphosphate monohydrate, 3 C10H16ON+ · HPO4−2 · H2PO4− · H2OThe crystal structure of the title compound, prepared from p-(2-dimethylaminoethyl)phenol (hordenine) and o-phosphoric acid, was determined from single-...
The molecular organization in crystals of the tetranuclear arene clusters [Os4H2(CO)10(η6-arene)](arene = C6H6, C6H5Me, C6H4Me2-o or -m) and of the hexanuclear species [Ru6C(CO)14(η6-C6H5Me)], [Ru6C(CO)14(η6-C6H3Me3-1,3,5)] and [Ru6C(CO)11(µ3-η2 : η2 ...
The two molecular structures are made up of neutral centrosymmetric [ Fe.,( bpym)(C404).,(H.,O h,I units and water of hydration, the main difference between the two fi)rms being in the packing and hydrogen bond pattern. Each iron atom has a highly dislorled octahedral geometry will)...
Using the as-prepared photocatalysts, the photocatalytic hydrogen production was carried out by water splitting under simulated solar light irradiation. The reaction was carried out in a 150-mL tube-like quartz reactor with a round bottom. 5 mg of the photocatalyst was added to 50 mL of 5%...
Firirosnt(sIIt)rpuhcttuhraeloocfyanine bisaxiall... Structure and optical properties of fullerene C[F6e0 (cIIo)Pmcp(Cle5xHw5Nit)h2].dCi6p0.y4rCid6iHn4aCtel2d. Firirosnt(sIIt)rpuhcttuhraeloocf... DV Konarev*A,AV Kuzminb,SV Simonovb,... 被引量: 4发表: 0年...
Density functional theory (DFT) calculations were performed to optimize the geometry of the novel compound and its homologous compound (C6H18N2)2[H2P2Mo5O23]·H2O (POM 1), in order to evaluate HOMO–LUMO energy parameters, molecular electrostatic potential (MEP) and non linear optical (NLO)...
The carbon layer is identified by the appearance of C=O, C=C, O-H, and C-OH modes of vibration peaks at 1689, 1914, 3110–3670, and 1410 cm−1, respectively. This indicates the presence of a large number of residual hydroxyl groups and inter- molecular hydrogen bonds, which ...
H-B interaction, whereas 2 features a central [NiS4H2] core in a distorted octahedral coordination geometry and exhibits relatively strong Ni... H-B interactions. These results indicate that the ligand can act in the bidentate (O-S,S) or tridentate (k(3)-S, S,BH) mode. The ...