English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

In a recent paper [J. Organomet. Chem. (2013) doi: 10.1016 /j.jorganchem.2013.03.047] analyzing the bonding mode of Trimethylenemethane (TMM) with somemetal carbonyls, Mousavi and Frenking have declared the absence of bond paths,the so-called missed bond paths, between metal atoms and terminal carbon atomsin several complexes. In this communication, it is first demonstrated that thepresupposition of the equivalence of a bond path and a chemical bond within thecontext of the quantum theory of atoms in molecules (QTAIM) is superficial andbasically flawed which is not only against with the recent strict declarationon the contrary [R.F.W. Bader, J. Phys. Chem. A 113 (2009) 10396], but also inodd with the foundations of the QTAIM. Then, it is demonstrated that theso-called missed bond paths indeed appear in molecular graphs of somenon-equilibrium geometries that are energetically quite accessible at roomtemperatures. To emphasize on the importance of this observation the termpassionate neighbors is coined referring to the atomic basins that do not sharean inter-atomic surface at the equilibrium geometry but are neighbors, share aninter-atomic surface, at non-equilibrium geometries accessible by nuclearvibrations. Using the delocalization index as well as other evidence fromprevious literature it is demonstrated that the QTAIM analysis is indeedcompatible with the presence of chemical bonds between iron metal and terminalcarbons in (CO)3Fe-TMM complex. Finally, some general discussions are done tounravel the delicate relationship between the QTAIM proposed concepts, e.g.bond paths and molecular graphs, and some orthodox concepts of chemistry, e.g.chemical bonds and chemical structures, emphasizing that there is no one-to-onerelationship between these two categorizes.

Are there missing bond paths in Trimethylenemethane-Iron-tri-carbonyl [(CO)3Fe-(C4H6)] complex?