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On the making of aromatic organometallic superalkali complexes

Chemical Communications, ISSN: 1364-548X, Vol: 54, Issue: 31, Page: 3903-3906
2018
  • 35
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  • 16
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  • 15
    Social Media
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  • Citations
    35
  • Captures
    16
  • Social Media
    15
    • Shares, Likes & Comments
      15
      • Facebook
        15

Article Description

Superalkalis are complexes that have a lower ionization energy than that of the corresponding alkali and alkaline earth metals. Based on First Principles calculations, the plausible existence of a superalkali complex consisting of an all-metal aromatic trigonal Au core coupled with pyridine (Py) and imidazole (IMD) ligands is suggested. The calculated ionization energy (IE) values of the subsequent organometallic complexes, Au(Py) and Au(IMD), are low, thereby mimicking the usual behavior of a superalkali. First order hyperpolarizability calculations show the existence of non-linear optical properties in some of the complexes, which is also on par with the properties of a superalkali.

Bibliographic Details

Parida, Rakesh; Reddy, G. Naaresh; Ganguly, Anirban; Roymahapatra, Gourisankar; Chakraborty, Arindam; Giri, Santanab

Royal Society of Chemistry (RSC)

Materials Science; Chemical Engineering; Chemistry

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