Date: April 2, 2009
Creator: Shi, Katheryn; Wilson, Angela K. & Wilson, Brent
Description: This presentation discusses research on the possible existence of molecules BrKrCCKrBr and FKrCCKrCCKrF. Computational chemistry combines math, chemistry, and computer science to solve chemical problems. Most computer software packages use the Schrödinger equation to approximate various molecular properties (e.g. optimal geometries, vibrational frequencies, charge distributions, dissociation energies, etc.). Before the 1960's, noble gases were considered inert. XePtF6 was synthesized by Neil Bartlett in 1962, opening a new area of exploration. More recently, organic noble gas compounds have been prepared (HXeCCH, HXeCC, HKrCCH, etc.). The author's research question is are there noble gas compounds with multiple carbon chains? This presentation describes the methods for the research, the results, and the conclusions.
Contributing Partner: UNT Honors College