Phosphines and related P–C‐bonded compounds

DW Allen - 2013 - books.rsc.org
This chapter covers the literature published during 2011 relating to the above area, apart
from a few papers from 2010 in less accessible journals which came to light in Chemical …

Breathing viability into cyclonona‐3,5,7‐trienylidenes via α‐dimethyl and ά‐moieties at DFT

MZ Kassaee, M Koohi - Journal of Physical Organic Chemistry, 2013 - Wiley Online Library
Cyclonona‐3, 5, 7‐trienylidene (1) changes from being a transition state (TS) to minimum
states when substituted by α‐methyl groups and ά‐X, where X= CMe2, NMe, PMe, O, S …

Phosphazenes

FF Stewart - 2015 - books.rsc.org
Phosphazene chemistry continues to expand in its breadth and application. This article
discusses new research published in 2013 covering mono-and dimeric structures …

Nucleophilicity of cyclic conjugated silylenes using DFT method

M Ayoubi‐Chianeh, MZ Kassaee… - Journal of Physical …, 2019 - Wiley Online Library
Assuming aromaticity (cyclic continuous conjugation, planarity, and obeying the Hückel 4n+
2 rule), nucleophilic (N), and electrophilic (ω) characters are anticipated to alternate for σ 2 …

En Route to stable all-Carbon-substituted silylenes: synthesis and reactivity of a bis (α-spirocyclopropyl) silylene

KM Redies, T Fallon, M Oestreich - Organometallics, 2014 - ACS Publications
The synthesis of a bis (α-spirocyclopropyl) silylene is reported and its reactivity revealed.
Liberation of the silylene was accomplished by UV-light-mediated photolysis of a trisilane …

Substitution effects on novel bicyclo [2.2. 1] hepta-7-silylenes by DFT

N Abedini, MZ Kassaee - Journal of Molecular Modeling, 2021 - Springer
Substitution effects on stability (ΔΕ st) of novel singlet and triplet forms of bicyclo [2.2. 1]
hepta-7-silylenes are compared and contrasted, at B3LYP/6–311++ G** level of theory. All …

Borasilylenes in focus: topological effects of nitrogen atoms by DFT

N Abedini, MZ Kassaee, PT Cummings - Silicon, 2021 - Springer
DFT calculations in combination with appropriate isodesmic reactions are employed to
assess topological effects of nitrogens on thermodynamic parameters of novel mono-, di-, tri …

Substituent Effect On Structure, Stability, and Electronic Properties of the Novel Bicyclic Silylenes at DFT

N Abedini, MZ Kassaee - Silicon, 2022 - Springer
The density functional theory (DFT) calculations are carried out to assay the effects of
nitrogen atoms on the stability and reactivity of singlet (s) and triplet (t) forms of novel …

A Quest for (sila)0-4cyclopentasilylenes and their Arduengo Analogs by DFT

M Ayoubi-Chianeh, MZ Kassaee - Silicon, 2021 - Springer
Following our interest in exotic silylenes, here we compare and contrast 20 novel five-
membered cyclic silylenes, including saturated (sila) 0–4 cyclopentasilylenes (1–10) and …

[HTML][HTML] Substituent and solvent effects on the electronic and structural properties of silacyclopropylidenoids

C Burak Yildiz, A Azizoglu - Journal of the Mexican Chemical Society, 2015 - scielo.org.mx
The isomeric structures, energies, and properties of the substituted silacyclopropylidenoids,
SiC2H3RLiBr (R=-H,-CH3,-SiH3,-CN,-OH,-NH2), were studied by ab initio calculations at …