The photodissociation of N(2)O at wavelengths near 130 nm has been investigated by velocity-mapped product imaging. In all, five dissociation channels have been detected, leading to the following products: O((1)S)+N(2)(X (1)Sigma), N((2)D)+NO(X (2)Pi), N((2)P)+NO(X (2)Pi), O((3)P) + N(2)(A (3)Sigma(+) (u)), and O((3)P) + N(2)(B (3)Pi(g)). The most significant channel is to the products O((1)S) ...

A 4-(pyrrolidin-1-yl)phenyl electron donor and 10-cyanoanthracen-9-yl electron acceptor are attached via alkyne linkages to the bridgehead carbon atoms of bicyclo[2.2.2]octane and all three benzo-annulated bicyclo[2.2.2]octanes. The sigma-system of bicyclo[2.2.2]octane provides a scaffold having nearly constant bridge geometry on which to append multiple, weakly interacting benzo pi-bridges, so...

Within the framework of dispersion theory, we study processes $e^+e^-\to \phi(2170) \to \phi \pi\pi(K\bar{K})$. The strong pion-pion final-state interactions, especially $K\bar{K}$ coupled channel in $S$-wave, are taken into account a model-independent way using Omn\`es function solution. Through fitting experimental data $\pi\pi$ and $\phi\pi$ invariant mass distributions $e^+e^- \pi^+\pi^-$ p...

Developing alternative high dielectric constant (k) materials for use as gate dielectrics is essential for continued advances in conventional inorganic CMOS and organic thin film transistors (OTFTs). Thicker films of high-k materials suppress tunneling leakage currents while providing effective capacitances comparable to those of thin films of lower-k materials. Self-assembled monolayers (SAMs)...

The J-OC-PSP (decomposition of J into Orbital Contributions using Orbital Currents and Partial Spin Polarization) method is applied to analyze NMR spin-spin coupling constants in polyenes, which were calculated using coupled perturbed density functional theory in connection with the B3LYP hybrid functional and a [7s,6p,2d/4s,2p] basis set. The analysis revealed that the pi-mechanism for Fermi c...

Exchange coupling across the cyanide bridge in a series of novel cyanometalate complexes with CuII-NC-MIII (M = Cr and low-spin Mn, Fe) fragments has been studied using the broken-symmetry DFT approach and an empirical model, which allows us to relate the exchange coupling constant with sigma-, pi-, and pi*-type spin densities of the CN- bridging ligand. Ferromagnetic exchange is found to be do...

The high-spin van der Waals states are examined for the following dimers: Cr(2) ((13)Sigma(g)(+)), Sc-Cr ((8)Sigma(+), (8)Pi, (8)Delta), and Sc-Kr ((2)Sigma(+), (2)Pi, (2)Delta). These three systems offer a wide range of van der Waals interactions: anomalously strong, intermediate, and typically weak. The single-reference [coupled cluster with single, double, and noniterative triple excitations...

The radially excited pseudoscalar state $\eta(1295)$ is still poorly understood [as well as its $SU(3)$ partners $\pi(1300)$ and $K(1460 )$] we want to attract attention experimenters comprehensive study. As for the main three-body decay $\eta(1295)\to \eta\pi\pi$, here interest measurements of shapes $\eta\pi $ $\pi\pi$ mass spectra in which contributions from $a_0(980)$ resonance large $S$ wa...

The fluorobenzene-ammonia van der Waals complex has been studied using a combination of two-color resonance enhanced multiphoton ionization (REMPI) spectroscopy, counterpoise corrected RICC2 ab initio molecular orbital calculations, and multidimensional Franck-Condon analysis. The experimental REMPI spectrum is characterized by a dominant, blueshifted band origin, and weak activity in intermole...