How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes

Enhanced π-Backdonation from Gold(I): Isolation of Original Carbonyl and Carbene Complexes

(2014) Maximilian Joost et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Selectively Measuring π Back-Donation in Gold(I) Complexes by NMR Spectroscopy

(2014) Gianluca Ciancaleoni et al.   CHEMISTRY-A EUROPEAN JOURNAL

When the Tolman Electronic Parameter Fails: A Comparative DFT and Charge Displacement Study of [(L)Ni(CO)3]0/– and [(L)Au(CO)]0/+

(2014) Gianluca Ciancaleoni et al.   INORGANIC CHEMISTRY

Full Parallel Implementation of an All-Electron Four-Component Dirac–Kohn–Sham Program

(2014) Sergio Rampino et al.   Journal of Chemical Theory and Computation

Disentanglement of Donation and Back-Donation Effects on Experimental Observables: A Case Study of Gold-Ethyne Complexes

(2013) Giovanni Bistoni et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Efficient Parallel All-Electron Four-Component Dirac–Kohn–Sham Program Using a Distributed Matrix Approach II

(2013) Loriano Storchi et al.   Journal of Chemical Theory and Computation

Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry

(2012) David Cappelletti et al.   ACCOUNTS OF CHEMICAL RESEARCH

End-On and Side-On π-Acid Ligand Adducts of Gold(I): Carbonyl, Cyanide, Isocyanide, and Cyclooctyne Gold(I) Complexes Supported by N-Heterocyclic Carbenes and Phosphines

(2012) Mehmet Ali Celik et al.   INORGANIC CHEMISTRY

Gold(I)-1,3-Diene Complexes: Connecting Structure, Bonding, and Reactivity

(2011) Ingo Krossing   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

[Au(CF3)(CO)]: A Gold Carbonyl Compound Stabilized by a Trifluoromethyl Group

(2011) Sonia Martínez-Salvador et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Isolable, gold carbonyl complexes supported by N-heterocyclic carbenes

(2011) Chandrakanta Dash et al.   CHEMICAL COMMUNICATIONS

Cationic Gold Carbonyl Complex on a Phosphine Support

(2011) H. V. Rasika Dias et al.   INORGANIC CHEMISTRY

Recent advances and perspectives in four-component Dirac–Kohn–Sham calculations

(2011) Leonardo Belpassi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Steering the Surprisingly Modular π-Acceptor Properties of N-Heterocyclic Carbenes: Implications for Gold Catalysis

(2010) Manuel Alcarazo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

On the Dewar-Chatt-Duncanson Model for Catalytic Gold(I) Complexes

(2010) Nicola Salvi et al.   CHEMISTRY-A EUROPEAN JOURNAL

Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective

(2010) Davide Tiana et al.   Journal of Chemical Theory and Computation

A Combined Charge and Energy Decomposition Scheme for Bond Analysis

(2009) Mariusz P. Mitoraj et al.   Journal of Chemical Theory and Computation

Carbene or cation?

(2009) Antonio M. Echavarren   Nature Chemistry

“High Noon” in Gold Catalysis: Carbene versus Carbocation Intermediates

(2008) A. Stephen K. Hashmi   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The role of electronic delocalization in transition metal complexes from the electron localization function and the quantum theory of atoms in molecules viewpoints

(2008) Eduard Matito et al.   COORDINATION CHEMISTRY REVIEWS

BLOCK-LOCALIZED WAVEFUNCTION ENERGY DECOMPOSITION (BLW-ED) ANALYSIS OF σ/π INTERACTIONS IN METAL-CARBONYL BONDING

(2008) KAZUHITO NAKASHIMA et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

The Chemical Bond between Au(I) and the Noble Gases. Comparative Study of NgAuF and NgAu+(Ng = Ar, Kr, Xe) by Density Functional and Coupled Cluster Methods

(2007) Leonardo Belpassi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY