py2P2S7: a bis(pyridine)adduct stabilized phosphorus sulfide

Abstract

The new phosphorus sulfide P(2)S(7), stabilized as the bis(pyridinium) adduct, was obtained from the reaction of P(4)S(10) and sulfur in pyridine, and could be isolated in the form of colourless block-shaped crystals which were characterized using single crystal X-ray diffraction. Coordination of pyridine is weak (d(P-N) = 187 pm) which is supported also by quantum chemical calculations.

Die Stellknöpfe der Entwicklungsuhr

“…A similar situation is found for the bis(pyridine) adduct of P 2 S 7 . The results of a quantum chemical study of the bonding situation in this compound compared to free P 2 S 7 (Figure 6) have been discussed in detail 7b…”

Comparison of Two Reagents for Thionations

“…Considerate industrial production of Lawesson's reagent (Scheme 1) requires costly oxidative destruction or the use of scrubbers and calcium hydroxide and water to dispose of H 2 S. If sulfur is added to P 4 S 10 in hot pyridine, a product containing three sulfur atoms in the middle is obtained that is slightly inferior when it comes to thionations (Scheme 5). 25…”

Synthesis of Thioethers Using Triethylamine-Activated Phosphorus Decasulfide (P4S10)

“…25 Optimization of the geometries was performed at the MPW1PW91 26 level with an augmented polarized doublezeta basis set (aug-cc-pVDZ), unless otherwise stated, owing to the fact that it provides reasonable results for structures possessing phosphorus and sulfur atoms. 27 A doublezeta quality basis set (LANL2DZ) 28 containing Hay and Wadt's effective core potential (ECP) was applied on the bromine atom, as implemented in Gaussian 09. The solvent effect (Et 2 O) was incorporated by using a self-consistent reaction field (SCRF) with a UFF (universal force field) parametrization of the polarizable continuum model (PCM).…”