The anion photoelectron spectrum and diabatization of tetrazolyl.

The potential energy surface of tetrazolyl [cyclic (N4CH)] has a conical intersection seam between the two lowest-energy electronic states near the ground state minimum geometry. This work treats that molecule. The potential energy surfaces used in this study are based on a least-squares fitting procedure that includes ab initio energies, energy gradients, and derivative couplings described using polynomials up to fourth-order and ab initio data obtained from multireference configuration interaction wave functions. A five-electronic-state description was generated with a root mean square absolute energy error of 9.6 cm-1, compared to 326.8 cm-1 when only second-order terms were used. The time-independent multimode vibronic coupling in the KDC approximation was used to simulate and analyze the anion ultraviolet photoelectron spectrum of tetrazolide.

Synthesis and characterization of plasmonic peptoid nanosheets.

Solvated two-dimensional (2D) arrays of gold nanoparticles (AuNPs) are versatile plasmonic materials that are not limited by the constraints of a solid support. We report here the assembly of AuNP-embedded peptoid nanosheets via monolayer collapse at the liquid-liquid interface. This synthesis route produces a new class of solvated 2D plasmonic arrays and has the potential to be extended to a variety of different nanoparticle systems.