On the nature of the chemical bond in valence bond theory
This Perspective outlines a panoramic description of the nature of the chemical bond
according to valence bond theory. It describes single bonds and demonstrates the existence …
according to valence bond theory. It describes single bonds and demonstrates the existence …
Comparing Isoelectronic, Quadruple-Bonded Metalloporphyrin and Metallocorrole Dimers: Scalar-Relativistic DFT Calculations Predict a> 1 eV Range for Ionization …
A scalar-relativistic DFT study of isoelectronic, quadruple-bonded Group 6
metalloporphyrins (M= Mo, W) and Group 7 metallocorroles (M= Tc, Re) has uncovered …
metalloporphyrins (M= Mo, W) and Group 7 metallocorroles (M= Tc, Re) has uncovered …
Is a transition metal–silicon quadruple bond viable?
Quadruple bonding in heavier main group elements is not known albeit having four valence
orbitals accessible for bonding. Here we report the unprecedented quadruple bonding …
orbitals accessible for bonding. Here we report the unprecedented quadruple bonding …
BeM (CO) 3−(M= Co, Rh, Ir) and BeM (CO) 3 (M= Ni, Pd, Pt): Triply bonded terminal beryllium in zero oxidation state
Y Liu, AJ Kalita, H Zhang, L Cui, B Yan… - The Journal of …, 2024 - pubs.aip.org
We perform detailed potential energy surface explorations of BeM (CO) 3−(M= Co, Rh, Ir)
and BeM (CO) 3 (M= Ni, Pd, Pt) using both single-reference and multireference-based …
and BeM (CO) 3 (M= Ni, Pd, Pt) using both single-reference and multireference-based …
Two σ-and two π-dative quadruple bonds between the s-block element and transition metal in [BeM (CO) 4; M= Fe− Os]
S Parambath, P Parameswaran - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
We report the chemical bonding and reactivity of the first example of neutral 18 valence
electron transition metal complexes of beryllium,[BeM (CO) 4; M= Fe− Os], in trigonal …
electron transition metal complexes of beryllium,[BeM (CO) 4; M= Fe− Os], in trigonal …
Weak Zinc-Zinc slipped triple bond in Zn2Li6 cluster
Abstract Weak Zn-Zn triple bond is achieved through six s 1 type donors in the form of six Li
atoms incorporated to Zn 2 dimer which results in the formation of Zn 2 Li 6 cluster. The …
atoms incorporated to Zn 2 dimer which results in the formation of Zn 2 Li 6 cluster. The …
Routes involving no free C 2 in a DFT-computed mechanistic model for the reported room-temperature chemical synthesis of C 2
HS Rzepa - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Recent lively debates about the nature of the quadruple bonding in the diatomic species C2
have been heightened by recent suggestions of molecules in which carbon may be similarly …
have been heightened by recent suggestions of molecules in which carbon may be similarly …
Hetero‐Polar Sextuple Bond: A Relativistic Quantum Chemical Study
Abstract Number of bonds formed by sharing an electron pair between two atoms is not
restricted to one, it can go beyond four and six is the maximum. While homopolar sextuple …
restricted to one, it can go beyond four and six is the maximum. While homopolar sextuple …
Dative quadruple bonds between d10 transition metals and beryllium in BeM(PMe3)2 and BeM(CO)2 (M = Ni, Pd, and Pt) complexes: Transition metal fragments …
S Parambath, V Thannimangalath… - Journal of …, 2023 - Wiley Online Library
The structure, chemical bonding, and reactivity of neutral 16 valence electrons (VE)
transition metal complexes of beryllium, BeM (PMe3) 2 (1M‐Be) and BeM (CO) 2 (2M‐Be …
transition metal complexes of beryllium, BeM (PMe3) 2 (1M‐Be) and BeM (CO) 2 (2M‐Be …
[PDF][PDF] Studies on the Creation of Novel Carbon‐Based Materials
S Hashimoto - 2023 - meiji.repo.nii.ac.jp
Carbon-based materials gain much interest because of their ubiquitousness, lightness,
thinness, property tunability, and so on. In this thesis, the author provides novel …
thinness, property tunability, and so on. In this thesis, the author provides novel …