PDF Publication Title:
Text from PDF Page: 150
140 Ingo Krossing Fig. 2 Optimized geometries, calculated Mulliken charges (spin densities) of the true Sn·+ (n=3–7) minima at the B3PW91/6–311+G* level of theory 5.2 Sulfur Dications Sn2+ Gaseous dications Sn2+ reduce the unfavorable Coulomb repulsion of the two positive charges in close proximity and dissociate with formation of two monocations Sx·+ and Sy·+ with x+y=n. This is called a “Coulomb Explosion”. For the same reason classical solid state ions like sulfate SO42 are unstable in the gas phase. This instability of gaseous Sn2+ cations makes quantum chemical calculations of sulfur cations delicate and requires the use of flexi- ble basis sets and highly correlated methods. The consequences of this be- havior for the chemistry of the sulfur cations are discussed below in the thermodynamics section. 5.2.1 Triplet S32+ The S32+ dication was the subject of extensive investigations, since it ap- peared likely that it has a triplet ground state. A detailed CI study on the ge- ometry, bonding and energetics of several S32+ isomers and electronic states showed that the triplet is the ground state. The global minimum is a regular D3h symmetric S32+ triangle with a 3A10 electronic state and a relatively short “best” S-S bond length of about 2.03 [19].PDF Image | Topics in Current Chemistry
PDF Search Title:
Topics in Current ChemistryOriginal File Name Searched:
Elemental-Sulfur-und-Sulfur-Rich-Compounds-I.pdfDIY PDF Search: Google It | Yahoo | Bing
Sulfur Deposition on Carbon Nanofibers using Supercritical CO2 Sulfur Deposition on Carbon Nanofibers using Supercritical CO2. Gamma sulfur also known as mother of pearl sulfur and nacreous sulfur... More Info
CO2 Organic Rankine Cycle Experimenter Platform The supercritical CO2 phase change system is both a heat pump and organic rankine cycle which can be used for those purposes and as a supercritical extractor for advanced subcritical and supercritical extraction technology. Uses include producing nanoparticles, precious metal CO2 extraction, lithium battery recycling, and other applications... More Info
CONTACT TEL: 608-238-6001 Email: greg@infinityturbine.com (Standard Web Page)