Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity

CH Suresh, GS Remya… - Wiley Interdisciplinary …, 2022 - Wiley Online Library
The molecular electrostatic potential (MESP) V (r) data derived from a reliable quantum
chemical method has been widely used for the interpretation and prediction of various …

Progress in hydroformylation and carbonylation

M Beller, B Cornils, CD Frohning… - Journal of Molecular …, 1995 - Elsevier
The last 15 years of hydroformylation and carbonylation chemistry are reviewed, including
technical and commercial aspects.

[图书][B] Comprehensive handbook of chemical bond energies

YR Luo - 2007 - taylorfrancis.com
Understanding the energy it takes to build or break chemical bonds is essential for scientists
and engineers in a wide range of innovative fields, including catalysis, nanomaterials …

Effects of Catalyst Phase on the Hydrogen Evolution Reaction of Water Splitting: Preparation of Phase-Pure Films of FeP, Fe2P, and Fe3P and Their Relative …

DE Schipper, Z Zhao, H Thirumalai… - Chemistry of …, 2018 - ACS Publications
The comparative catalytic activities of iron phosphides, Fe x P (x= 1–3), have been
established with phase-pure material grown by chemical vapor deposition (CVD) from single …

Electronic effect on rhodium diphosphine catalyzed hydroformylation: The bite angle effect reconsidered

LA van der Veen, MDK Boele… - Journal of the …, 1998 - ACS Publications
The electronic effect in the rhodium diphosphine catalyzed hydroformylation was
investigated. A series of electronically modified thixantphos ligands was synthesized, and …

Building ligand knowledge bases for organometallic chemistry: Computational description of phosphorus (III)-donor ligands and the metal–phosphorus bond

N Fey, AG Orpen, JN Harvey - Coordination Chemistry Reviews, 2009 - Elsevier
Changing the coordinated ligands is a powerful and synthetically convenient way of
modifying and fine-tuning the properties of transition metal complexes, especially those …

Hydroformylation of alkenes: An industrial view of the status and importance

HW Bohnen, B Cornils - 2002 - Elsevier
Abstract The hydroformylation (or “oxo”) reaction is one of the important reactions for the
manufacture of building blocks for the chemical industry. This reaction is among the most …

Structure and solution behaviour of rhodium (I) Vaska-type complexes for correlation of steric and electronic properties of tertiary phosphine ligands

A Roodt, S Otto, G Steyl - Coordination Chemistry Reviews, 2003 - Elsevier
This paper deals with the synthesis of rhodium (I) Vaska-type complexes of the general form
trans-[Rh (CO) X (PX3)](X= halide, X aryl or alkyl substituent) when incorporating tertiary …

Hybrid diphosphorus ligands in rhodium catalysed asymmetric hydroformylation

SH Chikkali, JI van der Vlugt, JNH Reek - Coordination chemistry reviews, 2014 - Elsevier
This review aims to illustrate recent advances in the application of hybrid diphosphorus
ligands for the Rh catalysed hydroformylation of alkenes, discussing the most prevalent …

Noncovalent interactions in a transition-metal triphenylphosphine complex: a density functional case study

N Sieffert, M Bühl - Inorganic chemistry, 2009 - ACS Publications
The binding enthalpy of a triphenylphosphine ligand in Ru (CO) Cl (PPh3) 3 (CH CHPh) is
studied with “standard”(BP86 and B3LYP), dispersion-corrected (B3LYP-D and B97-D), and …