Molecular main group metal hydrides
This review serves to document advances in the synthesis, versatile bonding, and reactivity
of molecular main group metal hydrides within Groups 1, 2, and 12–16. Particular attention …
of molecular main group metal hydrides within Groups 1, 2, and 12–16. Particular attention …
Hydrogenase enzymes and their synthetic models: the role of metal hydrides
Hydrogenase enzymes efficiently process H2 and protons at organometallic FeFe, NiFe, or
Fe active sites. Synthetic modeling of the many H2ase states has provided insight into …
Fe active sites. Synthetic modeling of the many H2ase states has provided insight into …
Relativistic effects in chemistry: more common than you thought
P Pyykkö - Annual review of physical chemistry, 2012 - annualreviews.org
Relativistic effects can strongly influence the chemical and physical properties of heavy
elements and their compounds. This influence has been noted in inorganic chemistry …
elements and their compounds. This influence has been noted in inorganic chemistry …
Relativistic heavy-neighbor-atom effects on NMR shifts: Concepts and trends across the periodic table
Chemical shifts present crucial information about an NMR spectrum. They show the
influence of the chemical environment on the nuclei being probed. Relativistic effects …
influence of the chemical environment on the nuclei being probed. Relativistic effects …
Nickel hydride complexes
NA Eberhardt, H Guan - Chemical reviews, 2016 - ACS Publications
Nickel hydride complexes, defined herein as any molecules bearing a nickel hydrogen
bond, are crucial intermediates in numerous nickel-catalyzed reactions. Some of them are …
bond, are crucial intermediates in numerous nickel-catalyzed reactions. Some of them are …
Perspective: relativistic effects
J Autschbach - The Journal of chemical physics, 2012 - pubs.aip.org
This perspective article discusses some broadly-known and some less broadly-known
consequences of Einstein's special relativity in quantum chemistry, and provides a brief …
consequences of Einstein's special relativity in quantum chemistry, and provides a brief …
Relativistic effects on the chemical bonding properties of the heavier elements and their compounds
It is now well established that the relativistic effects strongly influence the properties of the
heavier elements, specially the heavier elements of d-and f-block and also the heavier main …
heavier elements, specially the heavier elements of d-and f-block and also the heavier main …
ReSpect: Relativistic spectroscopy DFT program package
With the increasing interest in compounds containing heavier elements, the experimental
and theoretical community requires computationally efficient approaches capable of …
and theoretical community requires computationally efficient approaches capable of …
Computational protocols for calculating 13C NMR chemical shifts
LB Krivdin - Progress in nuclear magnetic resonance spectroscopy, 2019 - Elsevier
The most recent results dealing with the computation of 13 C NMR chemical shifts in
chemistry (small molecules, saturated, unsaturated and aromatic compounds, heterocycles …
chemistry (small molecules, saturated, unsaturated and aromatic compounds, heterocycles …
Use of 77Se and 125Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3]− (E = Se, Te; n = 1, 2) and Their …
DE Smiles, G Wu, P Hrobarik… - Journal of the American …, 2016 - ACS Publications
Reaction of [Th (I)(NR2) 3](R= SiMe3)(1) with 1 equiv of either [K (18-crown-6)] 2 [Se4] or [K
(18-crown-6)] 2 [Te2] affords the thorium dichalcogenides,[K (18-crown-6)][Th (η2-E2)(NR2) …
(18-crown-6)] 2 [Te2] affords the thorium dichalcogenides,[K (18-crown-6)][Th (η2-E2)(NR2) …