A quest for the universal atomic radii

被引：0
作者：
Poonam Yadav
Hiteshi Tandon
Babita Malik
Vandana Suhag
Tanmoy Chakraborty
机构：
[1] Manipal University Jaipur,Department of Chemistry
[2] DIT University,Department of Chemistry and Biochemistry, School of Basic Sciences and Research
[3] Sharda University,undefined
来源：
Structural Chemistry | 2022年 / 33卷
关键词：
Atomic radii; Electronegativity; Hardness; Polarizability; Internuclear bond distance;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Atomic radius is an important periodic descriptor used in understanding a variety of physico-chemical and bio-chemical processes. Numerous scales are suggested to define atomic radii. The aim of the current study is to find out the most reliable and universal scale among different (experimental and theoretical) scales of radii. For this, we have used different types of radii to compute some size-dependent physico-chemical atomic descriptors, i.e. electronegativity, global hardness, polarizability, and a real-world molecular descriptor, i.e. internuclear bond distance for some diatomic molecules. The computed properties are compared with available experimental values. Important periodic trends and the presence of relativistic effects are also verified for each set of atomic radii. This comparative study is valuable to get an idea about the most effective atomic radii.
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页码：389 / 394
页数：5
相关论文
共 134 条
[31]  
Ghosh DC(1946)A scale of electronegativity based on electrostatic force Phys Rev 69 604-9014
[32]  
Biswas R(1958)Nonempirical electronegativity scale J Inorg Nucl Chem 5 264-1544
[33]  
Putz MV(1976)Atomic polarizability and electronegativity J Am Chem Soc 98 7869-824
[34]  
Russo N(1990)Gordy’s electrostatic scale of electronegativity revisited J Am Chem Soc 112 4741-25734
[35]  
Sicilia E(2009)A scale of atomic electronegativity based on floating spherical gaussian orbital approach J Mol Struct: THEOCHEM 906 87-740
[36]  
Pyykkö P(2021)Electronegativity is the average one-electron energy of the valence-shell electrons in ground-state free atoms ChemistrySelect 6 5622-3727
[37]  
Riedel S(1989)Spectroscopic evaluation of the global hardness of the atoms J Am Chem Soc 111 9003-1213
[38]  
Patzschke M(2011)Molecular compounds and their spectra Mol Phys 109 1533-1319
[39]  
Ghosh DC(1952)Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series II J Am Chem Soc 74 811-315
[40]  
Biswas R(2016)Absolute electronegativity and hardness: application to inorganic chemistry Phys Chem Chem Phys 18 25721-214
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