![]() The fully filled valence orbitals (4d105s25p6) of I− determine its noncovalent attachment on the g‐CN film and so do the iodine species of I3−, I5−, etc. Computations reveal that the noncovalent attachment of iodine anion (I−) on g‐CN plays a crucial role in modulating the bandgap states and broadening of the visible‐light absorption range as well as the charge carrier separation with the photo‐induced hole confined to I− and electron to g‐CN film. Through a facile synthesis method of rapid thermal vapor condensation (RTVC), the prepared iodinated g‐CN film shows a significantly improved photocurrent density (38.9 ♚ cm−2), three times that of pure g‐CN film (13.0 ♚ cm−2) at 1.23 V versus reversible hydrogen electrode. By contrast, this work demonstrates that the noncovalent interaction in the case of iodinated graphitic carbon nitride (g‐CN) film can also enhance the PEC performance. To improve the photoelectrochemical (PEC) performance of photocatalysts, the doping strategy through covalent functionalization is often adopted to adjust material electronic structures. Finally, the results are discussed in terms of the intermolecular interactions among the constituent molecules. The molecular radius of these binary mixtures is found to be additive with respect to the mole fraction of the pure components. In addition, an ideal mixing method is also employed to calculate the molecular radius of these systems. Furthermore, the molecular radius of these binary polymer mixtures is computed with the help of the refractive index and molar volume data. Deviation in refractive index and reduced free volume values are also calculated using the refractive index data taken from the literature. The relative merit of refractive index mixing rules is assessed. A good agreement has been observed between the obtained results and respective literature data for all these mixtures. The binary mixtures investigated here are PEG-200 + 1,3-Dioxolane, PEG-200 þ Oxolane, PEG-200 + Oxane, PEG-400 + 1,3-Dioxolane, PEG-400 + Oxolane, and PEG-400 + Oxane. Using five refractive index mixing rules: Lorentz-Lorenz, Gladstone-Dale, Weiner, Heller, and Arago-Biot, refractive indices of six binary polymer mixtures have been determined at 303.15 K under atmospheric pressure. (15)) derived in this research are regarded as 150 deterministic in nature and were capable of reproducing Bohr's radii for any atom the radii were also capable of reproducing the average ionisation energies of hydrogen and oxygen atoms, chosen for illustration only, when substituted into derived preliminary equation (Eq. Bohr's equation and variants of it and the Planck constant invariant equation (Eq. ![]() The theoretical research with calculations, showed that the opposing theories are criticised because, they are obsessed with mathematical complexities with ambiguities without common ground that should usher alternative solution to the problem of the size of atom and thus, they cannot be considered as a valid description of reality. The research was undertaken with the following objectives: 1) to review concerns about atomism 2) appraise the issues of mathematical complexities in HUP and SE 3) review criticism against SE and HUP 4) most importantly derive a Planck constant invariant equation for the calculation of any atomic radii and 5) recalculate the radii of selected elements chosen for their biological importance. A simple method of computing the absolute size of atoms has been explored and a large body of known material has been brought together to reveal how many different properties correlate with atomic size.Ĭoncern has been expressed against the new theories, Heisenberg uncertainty principle (HUP) and Schrödinger wave/quantum mechanics (SE) that are purported to have replaced Bohr's theory and equation. The calculated global hardness and atomic polarizability of a number of atoms are found to be close to the available experimental values and the profiles of the physical properties computed in terms of the theoretical atomic radii exhibit their inherent periodicity. The radii are used to calculate a number of size dependent periodic physical properties of isolated atoms viz., the diamagnetic part of the atomic susceptibility, atomic polarizability and the chemical hardness. The computed sizes qualitatively correlate with the absolute size dependent properties like ionization potentials and electronegativity of elements. The d-block and f-block contractions are distinct in the calculated sizes. The set of theoretical radii are found to reproduce the periodic law and the Lother Meyer’s atomic volume curve and reproduce the expected vertical and horizontal trend of variation in atomic size in the periodic table. A set of theoretical atomic radii corresponding to the principal maximum in the radial distribution function, 4Àr2R2 for the outermost orbital has been calculated for the ground state of 103 elements of the periodic table using Slater orbitals.
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