IJS KOLOKVIJ, sreda, 5. 2. 2020, ob 13.00 uri, prof. dr. Simon Parsons

[Natasa Gosevac]

Vabimo vas na 8. predavanje iz sklopa "Kolokviji na IJS" v letu 2019/20, ki bo v sredo, 5. februarja 2020, ob 13. uri v Veliki predavalnici Instituta »Jožef Stefan«  na Jamovi cesti 39 v Ljubljani. Napovednik predavanja najdete tudi na naslovu  <http://www.ijs.si/ijsw/Koledar_prireditev> http://www.ijs.si/ijsw/Koledar_prireditev, posnetke preteklih predavanj pa na  <http://videolectures.net/kolokviji_ijs> http://videolectures.net/kolokviji_ijs. 

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prof. dr. Simon Parsons

School of Chemistry and Centre for Science at Extreme Conditions, The University of Edinburgh, Edinburgh, Velika Britanija

Visoki tlaki in molekularna trdna snov

V organski trdni snovi lahko z visokimi tlaki do 10 GPa (100 000 atm) dosežemo kompresijo medmolekularnih interakcij in fazne prehode. Tlak je tako zelo koristen način za študij polimorfizma v molekularnih trdninah. Raziskali smo materiale z vodikovo vezjo (npr. aminokisline) kakor tudi druge preproste spojine (npr. piridin) in v prvem delu predavanja bomo pokazali, kako lahko eksperimentalno opažene strukture organskih trdnin interpretiramo s semiempiričnimi in ab initio izračuni ter tako pridemo do vpogleda v fazno stabilnost na ravni posameznih medmolekulskih interakcij. V drugem delu predavanja se bomo osredotočili na uporabo visokega tlaka pri študiju kristalnih struktur koordinacijskih spojin. Medtem ko v organskih trdnih snoveh tlak navadno ne vpliva na dolžine in kote intramolekulskih vezi, je molekulska geometrija okoli kovinskih atomov v koordinacijskih kompleksih mnogo bolj prožna. Zaradi te lastnosti so kompleksi prehodnih kovin še posebej zanimivi za visokotlačne raziskave, v katerih raziskujemo povezavo med strukturo in snovnimi lastnostmi. S tem pristopom smo preučili molekularne magnete.

Predavanje bo v angleščini.

Lepo vabljeni!

 

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We invite you to the 8th Institute colloquium in the academic year 2019/20. The colloquium will be held on Wednesday February 5, 2020 at 1 PM in the main Institute lecture hall, Jamova 39, Ljubljana. To read the abstract click   <http://www.ijs.si/ijsw/Koledar_prireditev> http://www.ijs.si/ijsw/Koledar_prireditev. Past colloquia are posted on   <http://videolectures.net/kolokviji_ijs> http://videolectures.net/kolokviji_ijs.

 

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prof. dr. Simon Parsons

School of Chemistry and Centre for Science at Extreme Conditions, The University of Edinburgh, Edinburgh, United Kingdom

 

High pressure and the molecular solid state

 

In the organic solid state application of high pressure to 10 GPa (100 000 atm) leads to compression of intermolecular interactions and phase transitions.  Pressure is therefore a very useful means for studying polymorphism in molecular solids. We have investigated hydrogen-bonded materials (e.g. amino acids) as well as very simple compounds (e.g. pyridine), and the first part of the talk will show how experimental structures of organic solids can be interpreted using semi-empirical and ab initio calculations to develop an understanding of phase stability at the level of individual molecule-molecule interactions. The second part of the talk will focus on application of high pressure to crystals of coordination compounds. In organic solids intramolecular bond distances and angles are generally not greatly affected by pressure, but the same is not true in coordination complexes, where metal geometry is much more flexible. This feature makes transition metal complexes particularly attractive subjects for high-pressure studies which explore structure-property relationships, and we have applied this approach in studies of single molecule magnets.  

 

Cordially invited!

 

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