The light-induced spin and structure changes upon excitation of the singlet metal-to-ligand
charge transfer (1MLCT) state of Fe (II)-polypyridine complexes are investigated in detail in …

Many chemical reactions involve one or more changes in the total electronic spin of the
reacting system as part of one or more elementary steps. Computational and theoretical …

A low-coordinate, high spin (S= 3/2) organometallic iron (I) complex is a catalyst for the
isomerization of alkenes. A combination of experimental and computational mechanistic …

The mechanisms of trifluoromethylation with hypervalent iodine trifluoromethylation reagent
(Togni's reagent 1) have been comprehensively studied by density functional theory (DFT) …

In a combined experimental and theoretical study we characterize dissociative electron
attachment (DEA) to, and electronically excited states of, Fe (CO) 5. Both are relevant for …

The mechanism of nitrogen atom transfer from four-coordinate tris (carbene) borate iron (IV)
nitrido complexes to phosphines and phosphites has been investigated. In the absence of …

The purpose of this Tutorial Review is to outline the fundamental photochemistry of metal
carbonyls, and to show how the advances in technology have increased our understanding …

The ground state structure of [Ph2B (tBuIm) 2Fe (CO) 2]− is trigonal pyramidal (S= 1), with a
thermally accessible square planar (S= 0) geometry. Experimentally calibrated electronic …

The bulky bis (carbene) borate ligand Ph2B (tBuIm) 2–stabilizes low-coordinate and low-
valent iron complexes. The four-coordinate iron (II) complex Ph2B (tBuIm) 2FeCl (THF) is a …

The local chemical activation of surface-anchored metal–organic frameworks is a novel
electron beam-based lithographic technique with a high potential for the fabrication of …