bond lengthelectronegativity differenceMgTiO3 ceramicsmicrowave dielectric propertiesRietveld refinementMicrowave dielectric properties of MgTi1x(A1/3Sb2/3)xO3 (A = Mg, Zn, 0 ≤ x ≤ 0.125) ceramics were investigated as a function of the electronegativity difference (X) between (A1/3Sb2/3) ions...
The effect of cyclization and inclusion of double bond in ring on structure, proton affinities, acidities and NH bond dissociation enthalpies (BDEs) of carbamate molecules NH2C(=X)YR (X, Y = O, S, Se; R = -C2H5, -CH=CH2) has been investigated in the present study. The S-conformer...
The relationship of gas phase proton affinity (PA) of aliphatic amines, alcohols and ethers,inductive effect index( I ) of alkyl group, atomic charge ( q x), electronegativity of element ( X N) of affinity atom in RX molecules was studied. ...
One manifestation of the lone pair bond weakening effect is a break in the curve displaying the variations of the HnX−H bond energy (De) as a function of the X electronegativity (χ(X)). The weakening effect is found to exist and to be significant, gradually increasing in the series ...
(iv) chemical reactivity parameters like electronegativity (X)33, global softness (σ), ionization potential (IP), electron affinity (EA), hardness (η)34 and electrophilicity index (ω)35; (v) binding energy (Eb); (vi) HOMO–LUMO contributions (DOS) and (vii) NLO properties (μtot, ...
a mixture of elements with a large difference in electronegativity and atomic size would be expected to generate stronger heterogeneity in the distribution of elements12, thereby resulting in an increasedLcriticaland hence providing the possibility to experimentally study the influence of the local hetero...
This unique combination resulted in the enhanced microporosity and electronegativity of the TFC membrane, while also achieving a lower film thickness via the carrier-free IP approach. These improved features led to an increased water/divalent anions selectivity of SBI-based membranes. The use of NF ...
synthesis of a stable bimetallic structure with AgNPs and are located as a nucleus for controlling the reduction of silver ions (Ag+) [12,65]. The Au–O is less ionic than Ag–O structure since gold has a much larger electronegativity (+ 2.54 eV) than silver (+ 1.93 eV) [30,47...
Furthermore, the OO bond length (originally 1.20 Å) extends to 1.886 Å and 1.783 Å following adsorption of O2 on p-CTF-Ni and d-CTF-Ni, which suggest that the “end-on” adsorption configuration leads to a stronger interaction between the O atoms, whereas the “side-on” ...
The values were distributed around the quaternary ammonium cations (NR + 4), sulfonate ions (RSO3), and ethylene oxide (-CH2CH2O-) which are surrounded by groups with high electronegativity by O and S. These groups regulate the surface tension of the coal. (2) Molecules with a ...