Date: 21/01/2014 12:05:32
From: CrazyNeutrino
ID: 473802
Subject: Scientists turn table salt into forbidden compounds

Scientists turn table salt into forbidden compounds that violate textbook rules

In the field of exotic new materials, we’ve examined one of the strongest ones and another declared to be impossible; scientists now report creating “forbidden” materials out of ordinary table salt that violate classical rules of chemistry. Not only does the development challenge the theoretical foundation of chemistry, but it is also expected to lead to the discovery of new exotic chemical compounds with practical uses and shed light on the deep interiors of planets.

The international team of researchers led by Artem R. Oganov, a Professor of Crystallography at Stony Brook University, predicted that taking table salt and subjecting it to high pressure in the presence of an excess of one of its constituents (either chlorine or sodium) would lead to the formation of totally unexpected compounds. In spite of salt being one of the most thoroughly studied chemical compounds out there, the researchers predicted the formation of compounds forbidden by classical chemistry, such as Na3Cl and NaCl3. Their predictions were proven by subsequent experiments.

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Date: 21/01/2014 19:03:19
From: mollwollfumble
ID: 474090
Subject: re: Scientists turn table salt into forbidden compounds

CrazyNeutrino said:


Scientists turn table salt into forbidden compounds that violate textbook rules

In the field of exotic new materials, we’ve examined one of the strongest ones and another declared to be impossible; scientists now report creating “forbidden” materials out of ordinary table salt that violate classical rules of chemistry. Not only does the development challenge the theoretical foundation of chemistry, but it is also expected to lead to the discovery of new exotic chemical compounds with practical uses and shed light on the deep interiors of planets.

The international team of researchers led by Artem R. Oganov, a Professor of Crystallography at Stony Brook University, predicted that taking table salt and subjecting it to high pressure in the presence of an excess of one of its constituents (either chlorine or sodium) would lead to the formation of totally unexpected compounds. In spite of salt being one of the most thoroughly studied chemical compounds out there, the researchers predicted the formation of compounds forbidden by classical chemistry, such as Na3Cl and NaCl3. Their predictions were proven by subsequent experiments.

more…

> more …

In addition to NaCl3, the team has predicted other new “crazy” compounds, such as NaCl7, Na3Cl2, Na2Cl, and Na3Cl, based on a sophisticated algorithm developed by Oganov and his students involving quantum-mechanical calculations.

I wonder if those quantum-mechanical calculations used the Hartree-Fock equations. I’ve played around with some QM calculations using a piece of commercial computer software similar to the well-known GAUSSIAN program. These sorts of calculations on a unit cube are particularly easy to do, much easier than for example, crystal surface or large molecule calculations.

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