4.4 Article

Bonding and 13C-NMR properties of coinage metal tris(ethylene) and tris(norbornene) complexes: Evaluation of the role of relativistic effects from DFT calculations

Related references

Note: Only part of the references are listed.
Article Chemistry, Inorganic & Nuclear

Fluorinated tris(pyridyl)borate ligand support on coinage metals

Mukundam Vanga et al.

Summary: A useful ligand with three pyridyl donor arms and fluorocarbon substituents surrounding the coordination pocket has been assembled and utilized to stabilize ethylene complexes of copper, silver and gold in coinage metal chemistry.

DALTON TRANSACTIONS (2022)

Article Chemistry, Multidisciplinary

Isolable 1-Butene Copper(I) Complexes and 1-Butene/Butane Separation Using Structurally Adaptable Copper Pyrazolates

Ahmed H. Elashkar et al.

Summary: This study examines the chemistry of fluorinated copper(I) pyrazolates with 1-butene, reporting the isolation of rare 1-butene complexes of copper(I) and their structural, spectroscopic, and computational data. The formation of copper-butene adducts in solution involves structural transformation of trinuclear copper(I) pyrazolates to dinuclear mixed-ligand systems, and 1-butene can penetrate dense solid material to coordinate with copper(I) ions. The study also provides a comparison to ethene and propene complexes of copper(I).

CHEMPLUSCHEM (2021)

Review Chemistry, Multidisciplinary

Divergent Gold Catalysis: Unlocking Molecular Diversity through Catalyst Control

Chetan C. Chintawar et al.

Summary: Gold complexes have emerged as powerful catalysts in divergent catalysis, offering unique reactivity profiles due to their tunable soft pi-acidic nature. They not only catalyze reactions of alkynes, alkenes, and allenes effectively, but also provide divergent reaction pathways over other pi-acid catalysts like Ag, Pt, Pd, Rh, Cu, In, Sc, Hg, Zn, etc. Reviews documenting such examples are sporadic, hindering the further development of this burgeoning field, thus necessitating a unified approach like Divergent Gold Catalysis (DGC) to consolidate reports and pave the way for advancement.

CHEMICAL REVIEWS (2021)

Article Chemistry, Inorganic & Nuclear

Relativistic effects on dative carbon-coinage metal bond. Evaluation of NHC-MCl (M = Cu, Ag, Au) from relativistic DFT

Alvaro Munoz-Castro et al.

Summary: This study investigates the role of N-heterocyclic carbene as dative ligands in stabilizing carbon-metal bonds in coinage metal complexes, revealing the significant impact of relativistic effects on bond stability. The heavier the metal, the higher the contribution to bond stabilization, emphasizing the importance of considering relativistic effects in theoretical evaluations of carbon-metal bonds.

POLYHEDRON (2021)

Article Chemistry, Physical

Active Site of Catalytic Ethene Epoxidation: Machine-Learning Global Pathway Sampling Rules Out the Metal Sites

Dongxiao Chen et al.

Summary: By using machine-learning reaction exploration, it was found that ethene oxidation on silver metal surfaces has three low-energy pathways, with the dehydrogenation of oxometallacycle intermediate (OMC-DH) being the most important one. The dominance of the dehydrogenation path for ethene oxidation on both Ag(100) and Ag(111) metal surfaces regardless of the reaction conditions rationalizes the low selectivity to combustion products in low oxygen pressure experiments. The presence of the OMC-DH pathway and the general low selectivity on metal sites were confirmed by evaluating this mechanism on different catalysts, pointing towards revealing the true active site of Ag-based catalyst in ethene oxidation.

ACS CATALYSIS (2021)

Article Chemistry, Multidisciplinary

When SF5 outplays CF3: effects of pentafluorosulfanyl decorated scorpionates on copper

Anurag Noonikara-Poyil et al.

Summary: Polyfluorinated, electron-withdrawing, and sterically demanding ligands are important in chemistry. The study presented a new ligand [Ph2B(3-(SF5)Pz)(2)](-) that showed improved efficiency in copper catalyzed reactions compared to trifluoromethylated counterparts.

CHEMICAL SCIENCE (2021)

Article Chemistry, Multidisciplinary

Metal-CO Bonding in Mononuclear Transition Metal Carbonyl Complexes

Gernot Frenking et al.

Summary: DFT calculations and various analysis approaches were used to investigate the bonding situations and trends between metals and carbonyl ligands, emphasizing the increase in polarity of M-CO bonds with decreasing electronegativity of the metals.

JACS AU (2021)

Article Chemistry, Multidisciplinary

Highly convenient and highly specific-and-sensitive PCR using Se-atom modified dNTPs

Bei Hu et al.

Summary: A new strategy using Se-dNTPs to enhance PCR specificity and sensitivity is reported in this study, simplifying PCR design and optimization by effectively eliminating non-specific products.

CHEMICAL COMMUNICATIONS (2021)

Review Chemistry, Multidisciplinary

Cation-π Interactions in Graphene-Containing Systems for Water Treatment and Beyond

Guoke Zhao et al.

ADVANCED MATERIALS (2020)

Review Chemistry, Inorganic & Nuclear

Cation-π interactions in organic crystals

Shinji Yamada

COORDINATION CHEMISTRY REVIEWS (2020)

Article Engineering, Biomedical

Nanomechanics of π-cation-π interaction with implications for bio-inspired wet adhesion

Li Xiang et al.

ACTA BIOMATERIALIA (2020)

Review Chemistry, Multidisciplinary

Energy decomposition analysis

Lili Zhao et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)

Article Chemistry, Multidisciplinary

Relativistic Effects on Donor-Acceptor Interactions in Coinage Metal Carbonyl Complexes [TM(CO)(n)](+) (TM=Cu, Ag, Au; n=1, 2)

Christina Poggel et al.

CHEMISTRY-A EUROPEAN JOURNAL (2018)

Article Agriculture, Multidisciplinary

pi-Cation Interactions in Molecular Recognition: Perspectives on Pharmaceuticals and Pesticides

Zhibin Liang et al.

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2018)

Article Chemistry, Multidisciplinary

Tuning underwater adhesion with cation-π interactions

Matthew A. Gebbie et al.

NATURE CHEMISTRY (2017)

Article Chemistry, Physical

Interpretation of Tolman electronic parameters in the light of natural orbitals for chemical valence

G. Attilio Ardizzoia et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)

Review Chemistry, Multidisciplinary

The Cation-π Interaction in Small-Molecule Catalysis

C. Rose Kennedy et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)

Article Chemistry, Multidisciplinary

Guest-Host Interaction of Coinage Metals in π-Rich Cavities

Zhi Xiang Wong et al.

AUSTRALIAN JOURNAL OF CHEMISTRY (2016)

Article Chemistry, Physical

Mechanism of Spin-Orbit Effects on the Ligand NMR Chemical Shift in Transition-Metal Complexes: Linking NMR to EPR

Jan Vicha et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)

Article Chemistry, Multidisciplinary

Coinage Metals Binding as Main Group Elements: Structure and Bonding of the Carbene Complexes [TM(cAAC)2) and [TM(cAAC)2]+ (TM = Cu, Ag, Au)

Paul Jerabek et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)

Review Chemistry, Multidisciplinary

The Cation-π Interaction

Dennis A. Dougherty

ACCOUNTS OF CHEMICAL RESEARCH (2013)

Review Chemistry, Multidisciplinary

Cation-π Interaction: Its Role and Relevance in Chemistry, Biology, and Material Science

A. Subha Mahadevi et al.

CHEMICAL REVIEWS (2013)

Article Chemistry, Inorganic & Nuclear

Use of [SbF6]- to Isolate Cationic Copper and Silver Adducts with More than One Ethylene on the Metal Center

Mauro Fianchini et al.

ORGANOMETALLICS (2013)

Review Chemistry, Multidisciplinary

The Induced Magnetic Field

Rafael Islas et al.

ACCOUNTS OF CHEMICAL RESEARCH (2012)

Review Chemistry, Physical

Relativistic Effects in Chemistry: More Common Than You Thought

Pekka Pyykko

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 (2012)

Article Chemistry, Physical

Do Cation•••p Interactions Always Need to be 1:1?

Sharon Achamma Abraham et al.

CHEMPHYSCHEM (2012)

Article Chemistry, Physical

Perspective: Relativistic effects

Jochen Autschbach

JOURNAL OF CHEMICAL PHYSICS (2012)

Review Chemistry, Multidisciplinary

Energy decomposition analysis

Moritz von Hopffgarten et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Review Chemistry, Multidisciplinary

Density functional theory with London dispersion corrections

Stefan Grimme

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)

Review Chemistry, Physical

Chemical shift tensor - The heart of NMR: Insights into biological aspects of proteins

Hazime Saito et al.

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2010)

Review Chemistry, Multidisciplinary

Silver-Ethene Complexes [Ag(eta(2)-C2H4)(n)][Al(ORF)(4)] with n=1, 2, 3 (R-F = Fluorine-Substituted Group)

Andreas Reisinger et al.

CHEMISTRY-A EUROPEAN JOURNAL (2009)

Article Chemistry, Inorganic & Nuclear

Synthesis and catalytic activity of an electron-deficient copper-ethylene triazapentadienyl complex

Jaime A. Flores et al.

DALTON TRANSACTIONS (2009)

Article Chemistry, Multidisciplinary

Synthesis and characterization of the gold(I) tris(ethylene) complex [AU(C2H4)(3)][SbF6]

H. V. Rasika Dias et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)

Review Chemistry, Inorganic & Nuclear

Structurally characterized coinage-metal-ethylene complexes

H. V. Rasika Dias et al.

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2008)

Article Chemistry, Physical

Bond multiplicity in transition-metal complexes: Applications of two-electron valence indices

Artur Michalak et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

Article Chemistry, Multidisciplinary

Homoleptic Cu-phosphorus and Cu-ethene complexes

Gustavo Santiso-Quinones et al.

CHEMICAL COMMUNICATIONS (2007)

Review Chemistry, Multidisciplinary

Catalytic carbophilic activation: Catalysis by platinum and gold pi acids

Alois Fuerstner et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)

Review Chemistry, Multidisciplinary

Chemical double-mutant cycles: dissecting non-covalent interactions

Scott L. Cockroft et al.

CHEMICAL SOCIETY REVIEWS (2007)

Article Chemistry, Multidisciplinary

Orbital overlap and chemical bonding

Andreas Krapp et al.

CHEMISTRY-A EUROPEAN JOURNAL (2006)

Article Chemistry, Multidisciplinary

Gold(I)-catalyzed intra- and intermolecular hydroamination of unactivated olefins

JL Zhang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)

Article Chemistry, Physical

Benchmark study of DFT functionals for late-transition-metal reactions

MM Quintal et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

Article Chemistry, Multidisciplinary

Gold(I)-catalyzed stereoselective olefin cyclopropanation

MJ Johansson et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

Review Chemistry, Multidisciplinary

The magnetic shielding function of molecules and Pi-electron delocalization

T Heine et al.

CHEMICAL REVIEWS (2005)

Article Chemistry, Multidisciplinary

The induced magnetic field in cyclic molecules

G Merino et al.

CHEMISTRY-A EUROPEAN JOURNAL (2004)

Article Chemistry, Inorganic & Nuclear

The significance of π interactions in group 11 complexes with N-heterocyclic carbenes

D Nemcsok et al.

ORGANOMETALLICS (2004)

Article Chemistry, Multidisciplinary

Efficient aziridination of olefins catalyzed by a unique disilver(I) compound

Y Cui et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

Article Chemistry, Multidisciplinary

A stable salt of the tris(ethene)silver cation: structure and characterization of [Ag(eta(2)-(CH4)-H-2)(3)](+)[AI{OC(CF3)(3))(4)](-)

I Krossing et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2003)

Article Chemistry, Multidisciplinary

Cation-π interactions:: An energy decomposition analysis and its implication in δ-opioid receptor-ligand binding

YR Mo et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)

Article Chemistry, Multidisciplinary

Relativistic effects in properties of gold

P Schwerdtfeger

HETEROATOM CHEMISTRY (2002)

Review Chemistry, Multidisciplinary

The nature of the bonding in transition-metal compounds

G Frenking et al.

CHEMICAL REVIEWS (2000)