The Suppression of Columnar π-Stacking in 3-Adamantyl-1-phenyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl.

3-Adamantyl-1-phenyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl (4) crystallizes as chains of radicals where the spin bearing benzotriazinyl moieties are isolated from each other. Magnetic susceptibility studies in the 5-300 K temperature region indicate that radical 4 demonstrates typical paramagnetic behavior stemming from non-interacting S = ½ spins.

Mechanistic investigations of the catalytic formation of lactams from amines and water with liberation of H2.

The mechanism of the unique lactam formation from amines and water with concomitant H2 liberation with no added oxidant, catalyzed by a well-defined acridine-based ruthenium pincer complex was investigated in detail by both experiment and DFT calculations. The results show that a dearomatized form of the initial complex is the active catalyst. Furthermore, reversible imine formation was shown to be part of the catalytic cycle.

A magnetostructural investigation of an abrupt spin transition for 1-phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl.

1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl is the first example of a hydrazyl radical that shows a reversible sharp spin transition fully completed within 5(1) K. The nominally first-order transition takes place at ca. 58(2) K and proceeds via subtle changes of intra- and interstack interactions between two similar structural phases.

Convenient access to readily soluble symmetrical dialkyl-substituted α-oligofurans.

An expedient approach to the synthesis of well soluble symmetrical dialkyl-substituted α-oligofurans containing up to 8 π-conjugated furan heterocycles is reported. An ultimate symmetry and high solubility of these α-oligofurans were guaranteed using the 3,3'-diheptyl-2,2'-bifuran core and its symmetrical elongation through Suzuki-Miyaura or Stille cross-couplings. 3,3'-Diheptyl-2,2'-bifuran was prepared from 2,2'-bifuran-3,3'-dicarbaldehyde by the Wittig olefination and subsequent Pd/C-catalyzed transfer hydrogenation.

Structural, magnetic, and computational correlations of some imidazolo-fused 1,2,4-benzotriazinyl radicals.

1,3,7,8-Tetraphenyl-4,8-dihydro-1H-imidazolo[4,5g][1,2,4]benzotriazin-4-yl (5), 8-(4-bromophenyl)-1,3,7-triphenyl-4,8-dihydro-1H-imidazolo[4,5g][1,2,4]benzotriazin-4-yl (6), and 8-(4-methoxyphenyl)-1,3,7-triphenyl-4,8-dihydro-1H-imidazolo[4,5g][1,2,4]benzotriazin-4-yl (7) were characterized by using X-ray diffraction crystallography, variable-temperature magnetic susceptibility studies, and DFT calculations. Radicals 5-7 pack in 1 D π stacks made of radical pairs with alternate short and long interplanar distances. The magnetic susceptibility (χ vs.

Spin-triplet excitons in 1,3-diphenyl-7-(fur-2-yl)-1,4-dihydro-1,2,4-benzotriazin-4-yl.

7-(Fur-2-yl)benzotriazinyl 1 is the first example of a hydrazyl radical dimer with a thermally accessible triplet state. The triplet exciton (|D| = 0.018 cm(-1), |E| = 0.