Publication

Simulations of the absorption band of the D-state of Hg2 in rare gas matrices

Majed Chergui
2002
Journal Articles

Abstract

The authors present mol. dynamics simulations of the absorption spectra of the Hg2 mol. in solid Ne, Ar, and Xe. The simulations were performed using classical mol. dynamics (MD) and a diat.-in-mols. (DIM) treatment of the mixing of the different states of Hg2 induced by the environment. The exptl. relative shifts of the X0g+-D1u transition band are qual. well reproduced. The origin of these shifts is identified as the result of two combined factors: the effect of the host onto the Hg-Hg equil. distances and the different interaction of each matrix with the Hg2 electronic states. [on SciFinder (R)]

Official source

https://infoscience.epfl.ch/entities/publication/efda1a6e-87b2-46cd-bcad-29fe324f08d1

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Majed Chergui
2002
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/efda1a6e-87b2-46cd-bcad-29fe324f08d1

About this result

Related concepts (15)

Mercury (element)

Mercury is a chemical element with the symbol Hg and atomic number 80. It is also known as quicksilver and was formerly named hydrargyrum (haɪˈdrɑrdʒərəm ) from the Greek words hydro (water) and argyros (silver). A heavy, silvery d-block element, mercury is the only metallic element that is known to be liquid at standard temperature and pressure; the only other element that is liquid under these conditions is the halogen bromine, though metals such as caesium, gallium, and rubidium melt just above room temperature.

Absorption spectroscopy

Absorption spectroscopy refers to spectroscopic techniques that measure the absorption of electromagnetic radiation, as a function of frequency or wavelength, due to its interaction with a sample. The sample absorbs energy, i.e., photons, from the radiating field. The intensity of the absorption varies as a function of frequency, and this variation is the absorption spectrum. Absorption spectroscopy is performed across the electromagnetic spectrum.

Noble gas

The noble gases (historically also the inert gases; sometimes referred to as aerogens) make up a class of chemical elements with similar properties; under standard conditions, they are all odorless, colorless, monatomic gases with very low chemical reactivity. The six naturally occurring noble gases are helium (He), neon (Ne), argon (Ar), krypton (Kr), xenon (Xe), and the radioactive radon (Rn). Oganesson (Og) is a synthetically produced highly radioactive element.