Non-Covalent Chemical Forces Directing Catalytic Organometallic Reactivity

• Research unit: COST
• Project number: C05.0118

Key words (English)

homogeneous catalysis; non-covalent forces; transition metal complexes; mass spectrometry; quantum mechanical calculations; metal-free hydrogen reactivity

Research programs (English)

COST-Action D31 - Organising Non-Covalent Chemical Systems with Selected Functions

Short description (English)

In a third generation approach weak intra- and intermolecular forces of the secondary coordination sphere are applied in tuning efforts of organometallic homogeneous catalyses. Based on hydrogen bonding, weak ionic and coordinative forces and v.d. Waals (non-covalent) forces reactive intermediates and transition states of crucial catalytic elementary reactions are optimized with respect to their specific chemical tasks to achieve higher selectivities and activities of the catalyses. Sophisticated MS techniques and DFT methodologies will be used to identify and quantify reactive intermediates and transition states.

Partners and International Organizations (English)

AT, BE, CH, CZ, DE, DK, ES, FI, FR, GR, HR, HU, IL, IT, LT, NL, NO, PL, PT, SE, SI, UK

Abstract (English)

In a third generation approach weak intra- and intermolecular forces of the secondary coordination sphere are applied in tuning efforts of organometallic homogeneous catalyses. Based on hydrogen bonding, weak ionic and coordinative forces and v.d. Waals (non-covalent) forces reactive intermediates and transition states of crucial catalytic elementary reactions are optimized with respect to their specific chemical tasks to achieve higher selectivities and activities of the catalyses. Sophisticated MS techniques and DFT methodologies were used to identify and quantify reactive intermediates and transition states of metal-included and metal-free reactions.

References in databases (English)

Swiss Database: COST-DB of the State Secretariat for Education and Research Hallwylstrasse 4 CH-3003 Berne, Switzerland Tel. [phone] Swiss Project-Number: C05.0118