Buscando los 3 pies al gato de Schrödinger (aromaticidad)
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Buscando los 3 pies al gato de Schrödinger (aromaticidad)
- 1. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016 Sílvia Simon, Jordi Poater, Miquel Duran, and Miquel Solà -Institut de Química Computaciona i Catàlisis, Universitat de Girona -Càtedra de Cultura Científica i Comunicació Digital -Departament de Química Inorgànica i Orgànica and IQTCUB, Univ Barcelona - ICREA Buscando tres pies al Gato de Schrödinger From the Open Communication of Research to the Research in Open Communication Divulgación con recursos limitados de tiempo, energía, espacio y dinero
- 2. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016
- 3. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016
- 4. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016 Garcia-Borràs, M., Osuna, S., Swart, M., Luis, J. M. and Solà, M. (2013), Maximum Aromaticity as a Guiding Principle for the Most Suitable Hosting Cages in Endohedral Metallofullerenes. Angew. Chem. Int. Ed., 52: 9275–9278. doi:10.1002/anie.201303636
- 5. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016 • This is really tough! • We need analogies • We need to innovate in communicating research • Task in submitted FECyT project: Los 17 puntos clave de la comunicación low- cost de la investigación
- 6. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016
- 7. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016
- 8. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016 4n+2 Hückel’s rule 4n+2 Hückel’s rule strictly holds for monocyclic systems like benzene and cyclooctatetraene (annulenes with planar symmetry) But, are all molecules with electrons in a ring aromatic?
- 9. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016 Ring current upon applying a magnetic field World’s Easiest DIY Electric Train - https://youtu.be/9k7zywli4Vg
- 10. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016 Maths of Science: Schödinger’s equation This may actually be fun!
- 11. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016 But wait… we need to provide Quantum Chemistry’s foundations :-) Cat is dead or alive? Is your card red or black (Schrödinger’s Card :- )
- 12. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016 This is me and my digital circumstances Increasing broadband. Almost everyone owns a mobile device. Photo CC-BY flickr:mkhmarketing @MiquelDuran
- 13. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016
- 14. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016 We’re searching for low-cost, high-quality tools to communicate research Everyday Analogies - Helped by some “fancy” tool Need to be seen, touched, … Y seguimos buscando los 3 pies al gato (de Schrödinger, claro) On cherche les 5 pieds au mouton Buscando los 5 pies al gato Buscant els 3 pèls al gat Cercant els 5 peus al moltò
- 15. @MiquelDuran @C4DUdG @IQCCUdG #JornadasDmasI 21+22/10/2016 THANK YOU FOR YOUR ATTENTION
Editor's Notes
- In chemistry there are many concepts which are very difficult to be explain. Sometiomes it is because their explanation invole mathematics or some abstraction. BVu may be the most difficult think is that they are not related to any everyday experiencie. An exemple is when we introduce entropy in thermodinamics. It is always much more difficult that talking about energy, that it is something that they can extrapolate to some “real” thing. In that presentacion we would like to talk a very succes research line in the group leaded by Prof. Solà, aromaticity.
- So, aromaticity is due to the electron delocalization within a ring. So we need to have electrons to be eable to be delozalized, so the pi ones (forming the doble bond) are the ones delocalized. So, any molecules with pi electron confined within a ring will be aromatic, presenting extra stabilization? NO! They need to follow some rules.
- In order to explain the difference between both molecules MO can be introduced. They are the representation of a pair of electrons. (take two cards, with different color and explain the that al MO are build by two of them, with different color). From the occupation (number of electrons) we can see that ….. So we need somtimes to introduce more complexes where it is difficults to fins everyday experiences, but the use of some tool (cards) can help to make our students to remember them.
- When one talks aromaticity, they immedialty relate it to smell/fragancy. But it is no that aromatic compounds are not longer related to the aroma but to the extrastability that some compounds present. This is the case of benzene, wchih is more stable than the correponding trien.
- In that map we have two large cities with different populations (and different surface at the same time). The population density will be different in both cities, being larger in Barcelona (atom F in the HF molecule). We have people (cars) traveloing from one to another city. So electron density will change along the way to BCN from GRN. But this is the way of bonding both cities. If we analyse the number of cars (electron density) that go from GRN to DCN we will see that theri density is changing. We can see from the picture that near the city center the traffic is larger (orange), and proportional to the city size. Therea people leaving from Girona going directly to BCN, but many other just stop in some village between both bid cities. In that sense, between both center there will be a point where the density of cars is the samllest one. This is very nice everyday experience to explain what about electron density!
- But what about benzene? What makes benzene to be so stable. The round circulation around BCN (the two rondas, de dlat and litoral) are a good example expalinig thei phenomena. If there wold be only on roand going from noth/south Barcelona there will be a big amount of cars, as all of the need to go through it independently of where they need to go. When all points are connected with a round road it is much easier to circulate, so in some wuya the traffic gets stabilized.
- The Hückel’s rule is the one that need to be fulfilled for planar cycloootatetraenes. Benzene with 6 electrons fulfills the rule whiel ciclybutadiene has only 4 electrons. At that point it is not easy to find out an everyday analogy to explain these rule (and many other phenomenas which are base on quantum chemistry). --- Schödinguer card (performing the job to understand the differences from classic to quantum world).
- The Hückel’s rule is the one that need to be fulfilled for planar cycloootatetraenes. Benzene with 6 electrons fulfills the rule whiel ciclybutadiene has only 4 electrons. At that point it is not easy to find out an everyday analogy to explain these rule (and many other phenomenas which are base on quantum chemistry). --- Schödinguer card (performing the job to understand the differences from classic to quantum world).
- In chemistry there are many concepts which are very difficult to be explain. Sometiomes it is because their explanation invole mathematics or some abstraction. BVu may be the most difficult think is that they are not related to any everyday experiencie. An exemple is when we introduce entropy in thermodinamics. It is always much more difficult that talking about energy, that it is something that they can extrapolate to some “real” thing. In that presentacion we would like to talk a very succes research line in the group leaded by Prof. Solà, aromaticity.