Atomic polarizability: A periodic descriptor

Choudhary, Shalini; Ranjan, Prabhat; Chakraborty, Tanmoy

doi:10.1177/1747519819889936

Cited by 9 publications

(4 citation statements)

References 52 publications

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“…As it is determined by the interaction between light and the electrons that make up the material, 4 it tends to be higher when the material contains more elements with high polarization rates. Tellurium, the primary component of FI-02, has a higher polarization rate than other chalcogen elements (S, Se) 5 . Therefore, FI-02 has a very high refractive index of 3.47 (at a wavelength of 10 μm).…”

Section: Resultsmentioning

confidence: 99%

“…Tellurium, the primary component of FI-02, has a higher polarization rate than other chalcogen elements (S, Se). 5 Therefore, FI-02 has a very high refractive index of 3.47 (at a wavelength of 10 μm). This is much higher value than Ge-As-Se-Te system, which has the highest refractive index in commercially available chalcogenide glass (2.79 at 10 μm).…”

Section: Properties Of Fi-02mentioning

confidence: 99%

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Infrared lens units using chalcogenide glass with high transmission properties

Matsushita,

Sato,

Masuda

et al. 2023

Opt. Eng.

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Germanium and chalcogenide glasses are used as infrared lens materials, but there is no one that combines both excellent optical properties and mass production. Against this background, we worked on the development of a new infrared lens material, and a novel infrared lens material named FI-02 has been developed. FI-02's most useful feature is its infrared transmission property. It can transmit up to 20-μm-wavelength infrared light and has a vast transmittance spectrum in the infrared region compared to germanium and conventional chalcogenide glass. In addition, FI-02 has a high refractive index of 3.47 (at a wavelength of 10 μm). This enables the fabrication of thin and high-performance infrared lenses. Furthermore, FI-02 can be processed through press molding. This enables making of highperformance lenses with high productivity. In an infrared lens unit using FI-02, infrared images are captured with better contrast as compared to those captured using the germanium or conventional chalcogenide glass lenses. This could be attributed to the good infrared transmission property of FI-02. In addition, we confirmed that using FI-02 with a high refractive index as an aspheric lens, it is possible to design a lens unit with unprecedented characteristics, such as a low-distortion ultra-wideangle lens.

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Section: Resultsmentioning

confidence: 99%

Section: Properties Of Fi-02mentioning

confidence: 99%

Infrared lens units using chalcogenide glass with high transmission properties

Matsushita,

Sato,

Masuda

et al. 2023

Opt. Eng.

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show abstract

“…ionization energy or hardness). 31,44,[53][54][55][56][57][58] While these correlations provide useful conceptual insights, they have not been put to use for constructing accurate numerical predictions.…”

Section: Models For Polarizability and Frontier Orbital Energy Gapmentioning

confidence: 99%

Data-driven tailoring of molecular dipole polarizability and frontier orbital energies in chemical compound space

Góger

Sandonas

Müller

et al. 2023

Phys. Chem. Chem. Phys.

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“…F is significantly less polarizable and more electronegative than the other halogens. On the empirical scale of Choudhary, Ranjan & Chakraborty (CR & C) [ 129 ], the polarizability α (CR & C) in the halogen series follows the order: F = 0.46, Cl = 1.02, Br = 1.67, and I = 1.97. Clearly, the bonding of F with As in AsF 3 does not allow it to conceive a σ -hole on its surface along the As–F bond extension, as observed in NF 3 and PF 3 along the N–F [ 68 ] and P–F [ 67 ] bond extensions, respectively.…”

Section: Arsenic In Crystalsmentioning

confidence: 99%

The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond Donor

Varadwaj

Marques

et al. 2022

Molecules

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In chemical systems, the arsenic-centered pnictogen bond, or simply the arsenic bond, occurs when there is evidence of a net attractive interaction between the electrophilic region associated with a covalently or coordinately bound arsenic atom in a molecular entity and a nucleophile in another or the same molecular entity. It is the third member of the family of pnictogen bonds formed by the third atom of the pnictogen family, Group 15 of the periodic table, and is an inter- or intramolecular noncovalent interaction. In this overview, we present several illustrative crystal structures deposited into the Cambridge Structure Database (CSD) and the Inorganic Chemistry Structural Database (ICSD) during the last and current centuries to demonstrate that the arsenic atom in molecular entities has a significant ability to act as an electrophilic agent to make an attractive engagement with nucleophiles when in close vicinity, thereby forming σ-hole or π-hole interactions, and hence driving (in part, at least) the overall stability of the system’s crystalline phase. This overview does not include results from theoretical simulations reported by others as none of them address the signatory details of As-centered pnictogen bonds. Rather, we aimed at highlighting the interaction modes of arsenic-centered σ- and π-holes in the rationale design of crystal lattices to demonstrate that such interactions are abundant in crystalline materials, but care has to be taken to identify them as is usually done with the much more widely known noncovalent interactions in chemical systems, halogen bonding and hydrogen bonding. We also demonstrate that As-centered pnictogen bonds are usually accompanied by other primary and secondary interactions, which reinforce their occurrence and strength in most of the crystal structures illustrated. A statistical analysis of structures deposited into the CSD was performed for each interaction type As···D (D = N, O, S, Se, Te, F, Cl, Br, I, arene’s π system), thus providing insight into the typical nature of As···D interaction distances and ∠R–As···D bond angles of these interactions in crystals, where R is the remainder of the molecular entity.

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Atomic polarizability: A periodic descriptor

Cited by 9 publications

References 52 publications

Infrared lens units using chalcogenide glass with high transmission properties

Infrared lens units using chalcogenide glass with high transmission properties

Data-driven tailoring of molecular dipole polarizability and frontier orbital energies in chemical compound space

The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond Donor

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