Nuclear Quantum Effect on the χ Band Shape of Vibrational Sum Frequency Generation Spectra of Normal and Deuterated Water Surfaces.

In the vibrational sum frequency generation (VSFG) spectrum of the air/water interface, there is an open question whether the imaginary spectrum of nonlinear susceptibility Im[χ] has a positive band in the low-frequency tail of the OH stretching band. We previously elucidated by molecular dynamics (MD) analysis of the VSFG spectrum that the positive band could arise from particularly strong hydrogen-bonded water pairs at the water surface. This mechanism should be emphasized in OD stretching in comparison to OH, because OD forms stronger hydrogen bonds.

Magnetic Sponge with Neutral-Ionic Phase Transitions.

Phase transitions caused by the charge instability between the neutral and ionic phases of compounds, i.e., N-I phase transitions, provide avenues for switching the intrinsic properties of compounds related to electron/spin correlation and dipole generation as well as charge distribution.

The Fate of Bis(η -allyl)palladium Complexes in the Presence of Aldehydes (or Imines) and Allylic Chlorides: Stille Coupling versus Allylation of Aldehydes (or Imines).

The mere presence or absence of PPh suffices to control the reactivity of bis(η -allyl)palladium complexes. In the absence of PPh they undergo chemoselective allylic addition to aldehydes or imines, even in the presence of allylic chlorides, whereas in the presence of PPh the Stille coupling reaction takes place chemoselectively, even when aldehydes or imines are also present.

Mixed-Valent Heptairon Complex with a Ground-State Spin Value of S=12/2 Constructed from a Triiron Cluster Ligand.

The anionic triiron(III) cluster ligand [Fe(III)(3)(µ(3)-O)(bpca)(2)Cl(4)(EtO)(2)](-) (1; Hbpca=bis(2-pyridylcarbonyl)amine) was prepared as a building block for constructing larger metal assemblies. This "metal cluster complex ligand" was used in the synthesis of the mixed-valent heptairon complex [Fe(II)(1)(2)(EtOH)(2)], which has a ground-state spin value of S=12/2.