Recent advances in aromaticity and antiaromaticity in transition-metal systems
TR Galeev, AI Boldyrev - Annual Reports Section" C"(Physical …, 2011 - pubs.rsc.org
The concept of aromaticity/antiaromaticity was recently extended to polynuclear transition
metal compounds. In the current report we review recent advances made in the field of …
metal compounds. In the current report we review recent advances made in the field of …
Minimizing the risk of reporting false aromaticity and antiaromaticity in inorganic heterocycles following magnetic criteria
JJ Torres-Vega, A Vásquez-Espinal… - Inorganic …, 2014 - ACS Publications
Although aromaticity is a concept in chemistry, in the last years, special efforts have been
carried out in order to propose theoretical strategies to quantify it as a property of molecular …
carried out in order to propose theoretical strategies to quantify it as a property of molecular …
All-transition metal aromaticity and antiaromaticity
AP Sergeeva, BB Averkiev, AI Boldyrev - Metal-Metal Bonding, 2010 - Springer
Though aromaticity in compounds containing a transition-metal atom has already been
discussed for quite a long time, aromaticity in all-transition metal systems have been …
discussed for quite a long time, aromaticity in all-transition metal systems have been …
A dissected ring current model for assessing magnetic aromaticity: A general approach for both organic and inorganic rings
C Foroutan‐Nejad, S Shahbazian… - Journal of …, 2011 - Wiley Online Library
A model based on classical electrodynamics is used to measure the strength of ring currents
of different molecular orbitals, ie, σ‐and π‐orbitals, and characteristics of ring current loops …
of different molecular orbitals, ie, σ‐and π‐orbitals, and characteristics of ring current loops …
The Chemical bonding of Re3Cl9 and revealed by the adaptive natural density partitioning analyses
AP Sergeeva, AI Boldyrev - Comments on Inorganic Chemistry, 2010 - Taylor & Francis
Chemical bonding of neutral rhenium trichloride Re3Cl9 and doubly charged has been
brought into question in the current work. Despite recently reported propositions of π …
brought into question in the current work. Despite recently reported propositions of π …
[图书][B] Aromaticity and metal clusters
PK Chattaraj - 2010 - books.google.com
Metal clusters, an intermediate state between molecules and the extended solid, show
peculiar bonding and reactivity patterns. Their significance is critical to many areas …
peculiar bonding and reactivity patterns. Their significance is critical to many areas …
Spin–orbit effects on a gold-based superatom: a relativistic Jellium model
A Muñoz-Castro, R Arratia-Perez - Physical Chemistry Chemical …, 2012 - pubs.rsc.org
The inclusion of relativistic effects always brings to the scientific community great and
stimulating surprises. To consider the spin–orbit term, which accounts for the interaction …
stimulating surprises. To consider the spin–orbit term, which accounts for the interaction …
Spin–orbit effects in cluster chemistry: Considerations and applications for rationalization of their properties
A Muñoz-Castro, R Arratia-Perez - Chemical Physics Reviews, 2023 - pubs.aip.org
Relativistic effects are usually taken into account in heavy-element-containing species,
bringing to the scientific community stimulating cases of study. Scalar and spin–orbit effects …
bringing to the scientific community stimulating cases of study. Scalar and spin–orbit effects …
New Insights into Re3(μ-Cl)3Cl6 Aromaticity. Evidence of σ- and π-Diatropicity
A Vásquez-Espinal, R Pino-Rios… - The Journal of …, 2015 - ACS Publications
We have theoretically evaluated the behavior of the Re3 (μ-Cl) 3Cl6 cluster under magnetic
perturbation, and it clearly shows that the magnetic response within the Re3 (μ-Cl) 3 plane is …
perturbation, and it clearly shows that the magnetic response within the Re3 (μ-Cl) 3 plane is …
Electron and Spin Delocalization in [Co6Se8(PEt3)6]0/+1 Superatoms
Molecular clusters can function as nanoscale atoms/superatoms, assembling into
superatomic solids, a new class of solid‐state materials with designable properties through …
superatomic solids, a new class of solid‐state materials with designable properties through …