Metal ion modeling using classical mechanics

P Li, KM Merz Jr - Chemical reviews, 2017 - ACS Publications
Metal ions play significant roles in numerous fields including chemistry, geochemistry,
biochemistry, and materials science. With computational tools increasingly becoming …

The nature of the bonding in transition-metal compounds

G Frenking, N Fröhlich - Chemical reviews, 2000 - ACS Publications
Although chemically binding interatomic interactions are the basis for chemistry as a whole,
the understanding of the nature of the chemical bond is much less advanced than the …

Fundamentals of H2 Binding and Reactivity on Transition Metals Underlying Hydrogenase Function and H2 Production and Storage

GJ Kubas - Chemical reviews, 2007 - ACS Publications
Formation of stable iron hydrides on more nucleophilic (electron-rich) metal centers than
those found in hydrogenases with CO ligands would inhibit or at least slow down function …

Metal–dihydrogen and σ-bond coordination: the consummate extension of the Dewar–Chatt–Duncanson model for metal–olefin π bonding

GJ Kubas - Journal of Organometallic Chemistry, 2001 - Elsevier
There is a marvelous analogy between the metal–olefin π bonding model first brought to
light by Dewar 50 years ago and that of σ-bond coordination discovered by us 17 years ago …

Reactions of hydrosilanes with transition metal complexes and characterization of the products

JY Corey - Chemical Reviews, 2011 - ACS Publications
Hydrosilanes are used as versatile coreactants in the generation of silyl-metal complexes.
Since organohydrosilanes may contain one, two, or three SiH bonds as tertiary, secondary …

Dihydrogen complexation

RH Crabtree - Chemical Reviews, 2016 - ACS Publications
Dihydrogen complexation with retention of the H–H bond, once an exotic concept, has by
now appeared in a very wide range of contexts. Three structural types are currently …

The σ‐CAM mechanism: σ complexes as the basis of σ‐bond metathesis at late‐transition‐metal centers

RN Perutz, S Sabo‐Etienne - … Chemie International Edition, 2007 - Wiley Online Library
Complexes in which a σ‐H E bond (E= H, B, Si, C) acts as a two‐electron donor to the
metal center are called σ complexes. Clues that it is possible to interconvert σ ligands …

Hydrogen and dihydrogen bonds in the reactions of metal hydrides

NV Belkova, LM Epstein, OA Filippov… - Chemical …, 2016 - ACS Publications
The dihydrogen bond an interaction between a transition-metal or main-group hydride (M
H) and a protic hydrogen moiety (H X) is arguably the most intriguing type of hydrogen …

Mechanism of asymmetric hydrogenation of ketones catalyzed by BINAP/1, 2-diamine− ruthenium (II) complexes

CA Sandoval, T Ohkuma, K Muñiz… - Journal of the American …, 2003 - ACS Publications
Asymmetric hydrogenation of acetophenone with trans-RuH (η1-BH4)[(S)-tolbinap][(S, S)-
dpen](TolBINAP= 2, 2 '-bis (di-4-tolylphosphino)-1, 1 '-binaphthyl; DPEN= 1, 2 …

Continuous symmetry maps and shape classification. The case of six-coordinated metal compounds

S Alvarez, D Avnir, M Llunell, M Pinsky - New Journal of Chemistry, 2002 - pubs.rsc.org
A continuous symmetry study of the structures of transition metal six-vertex polyhedra is
presented, considering both molecular models and experimental structural data. The …