Revisiting the Bonding Scenario of Two Donor Ligand Stabilized C2 Species

SMNVT Gorantla, S Pan, KC Mondal… - The Journal of Physical …, 2020 - ACS Publications
Quantum chemical calculations using density functional methods were performed for
complexes of type L2C2 with L= NHCMe (1), SNHCMe (2)(S= saturated), cAACMe (3), and …

Stabilization of Linear C3 by Two Donor Ligands: A Theoretical Study of L‐C3‐L (L=PPh3, NHCMe, cAACMe)**

SMNVT Gorantla, S Pan, KC Mondal… - … –A European Journal, 2020 - Wiley Online Library
Quantum chemical studies using density functional theory and ab initio methods have been
carried out for the molecules L‐C3‐L with L= PPh3 (1), NHCMe (2, NHC= N‐heterocyclic …

Stabilization of group 14 elements E = C, Si, Ge by hetero‐bileptic ligands cAAC, MCOn with push‐pull mechanism

SMNVT Gorantla, P Parameswaran… - Journal of …, 2021 - Wiley Online Library
The stability and bonding of a series of hetero‐diatomic molecules with general formula
(cAAC) E M (CO) n, where cAAC= cyclic alkyl (amino) carbene; E= group 14 elements (C …

Stabilization of Interstellar CSi2 Species by Donor Base Ligands: L-CSi2-L; L = cAACMe, NHCMe, and PMe3

SK Kushvaha, SMNVT Gorantla… - The Journal of Physical …, 2022 - ACS Publications
The donor ligand bonded singlet (L) 2Si2C containing a bent Si2C unit in the middle has
been studied by theoretical quantum mechanical calculations (NBO, QTAIM, EDA-NOCV …

Synthesis and Characterization of Silicon–Carbon Powder and Its Resistance to Electron Irradiation

VI Pavlenko, NI Cherkashina, OD Edamenko… - Journal of Composites …, 2023 - mdpi.com
The issue of crystallization of silicon oxide at low temperatures is a topical issue for the
electronics of the future. Organosilicon oligomers and polymers are “ideal” sources for …

Structure, Stability and Bonding in Ligand Stabilized C 3 Species

S Pan, Z Cui - Electron Density: Concepts, Computation and …, 2024 - Wiley Online Library
The persistent carbenes stabilized C n species for n= 1 and 2 are quite well‐explored.
However, the corresponding C 3 homologs have only been little explored so far. Herein, we …