Abstract C 13 H 7 BrN 2 O 3 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 7.2968(6) Å, b 7.6743(6) c 11.5698(12) α 77.255(8)°, β 73.573(8)°, γ 73.509(7)°, V 588.90(10) Å Z 2, R gt ( F ) 0.0459, wR ref 0.1089, T 220 K.

The reaction of CH₃NH₂ with O₂ on the singlet potential energy surfaces (PES) was carried out using the B3LYP, CCSD(T) and G3B3 theoretical approaches along with 6-311++G(3df,3pd) basis set. The suggested mechanism for the title reaction consists of one pre-reactive complex. From the pre-reactive complex, nine types of products, CH2NH+H2O2, CH3NH+OOH,...

The reactions between H2+ and HD forming H3+ + D as well H2D+ H were measured at collision energies 0 kB·30 K a resolution of 75 mK the H3+/H2D+ product branching ratio kinetic-energy distribution determined.

Determining local concentrations of the analytes in state-of-the-art microreactors is essential for development optimized and safe processes. However, selective, parallel monitoring a...

Abstract C 10 H O 4 , monoclinic, P 2 1 / c (no. 14), a = 9.464(6) Å, b 10.302(7) 10.589(7) β 114.174(11)°, V 941.8(10) Å 3 Z 4, R gt ( F ) 0.0453, wR ref 0.1394, T 173 K.

Secondary non-covalent interactions prove crucial in determining the topology of supramolecular chains sustained by conventional O–H?O hydrogen bonding.