Synthesis of a new class of β-iodo N-alkenyl 2-pyridones.

A new method for the synthesis of β-iodo N-alkenyl 2-pyridones from substituted 2-propargyloxypyridines has been discovered . These compounds present a unique complement of orthogonal functionality and structural characteristics that are unavailable via other routes. The ready access to these compounds renders them an important entry point for the preparation of more complex N-alkyl pyridone-containing targets.

Bond multiplicity in transition-metal complexes: applications of two-electron valence indices.

In the present study the applicability of the bond multiplicities from the Nalewajski and Mrozek valence indices was demonstrated for a variety of transition metal-based systems. The Nalewajski-Mrozek valence indices and bond multiplicity indices have been implemented in the Amsterdam Density Functional program. Selected examples comprise the carbonyl complexes (selected tetra- and hexacarbonyls, binary monocarbonyls of the first-row transition metals), phosphines, the ligands' trans-influence, as well as multiple metal-ligand and metal-metal bonds.

Possible side reactions due to water in emulsion polymerization by late transition metal complexes. 1. Water complexation and hydrolysis of the growing chain.

The transition metal catalyzed ethylene polymerization in aqueous emulsion has been increasingly successful in the last couple of years. Water however adversely affects the polymerization process by (a) competing with ethylene for the binding site at the metal and (b) hydrolyzing the growing chain. Neutral salicylaldiminato and cationic diimine complexes of Ni and Pd with different substituent patterns are studied here by density functional theory to determine their propensity toward water complexation and hydrolysis of the growing chain.

The short N [bond] F bond in N(2)F(+) and how Pauli repulsion influences bond lengths. Theoretical study of N(2)X(+), NF(3)X(+), and NH(3)X(+) (X [double bond] F, H).

Exceptionally short N [bond] F bond distances of only 1.217 A (crystal) and 1.246 A (gas phase) have been reported for N(2)F(+), making it the shortest N [bond] F bond ever observed.