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Engineering crystalline materials using metal...
 

PROJEKT CRYSTIN 

UIP-11-2013-1809

Trajanje:
01.09.2014.-20.11.2017.

 

Financiranje / Funding:
HRVATSKA ZAKLADA ZA ZNANOST

 

 

 

 

 

 

OBAVIJEST

Javna prezentacija projekta CRYSTIN održat će se u ponedjeljak 13. studenoga 2017. godine u 14.15 sati u predavaoni P1 Kemijskog odsjeka PMF-a, Horvatovac 102a.

 

 

VODITELJ PROJEKTA / PRINCIPAL INVESTIGATOR: Doc.dr.sc. Marijana Đaković

 

INSTITUCIJE KOJE SUDJELUJU U PROJEKTU / INSTITUTIONS
Sveučilište u Zagrebu, Prirodoslovno-matematički fakultet

Sveučilište u Zagrebu, Farmaceutsko-biokemijski fakultet

Institut Ruđer Bošković

Kansas State Univesity


 


NAZIV PROJEKTA / PROJECT TITLE
Engineering crystalline materials using metal complexes and non-covalent interactions

 


SAŽETAK / ABSTRACT

Interdisciplinary research at the interface of chemistry and materials science has been remarkably successful at producing technologies that have revolutionized all aspects of everyday life. However, there is still a great need for new solids with ‘improved’ physical properties (faster, cheaper, smarter or more responsive than current alternatives). Unfortunately, the ability to ‘dial-in’ a property or physical response remains a major challenge. Therefore, our goal is to establish reliable avenues for the design of crystalline metal-containing materials by encoding building-blocks with structural-preferences that lead to ‘programmable’ assembly, thus avoiding serendipity and chance when targeting new materials with specific and tunable properties. To achieve this, we first need to map out the structural landscape that controls how metal complexes communicate and subsequently assemble into 3-D architectures.
New structural and spectroscopic information will be complemented by data obtained by mining the CSD, while computational methods will inform both the planning as well as the interpretation of the experimental efforts. The results obtained in this systematic and multidisciplinary research program will create new avenues towards the design of crystalline metal-containing materials based on reliable structure-activity protocols.

 


PROJEKTNI TIM / PROJECT TEAM

PMF: Mladen, Borovina, Marijana Đaković, Ivan Kodrin, Željka Soldin

FBF: Boris-Marko Kukovec

IRB:  Aleksandar Višnjevac, Nives Matijaković

KSU: Christer B. Aakeröy

 

 

PUBLIKACIJE

  1. Ivan Kodrin, Željka Soldin, Christer B. Aakeroy; Marijana Đaković, Role of the ‘Weakest Link’ in a Pressure-Driven Phase Transition of Two Polytypic Polymorphs, Crystal growth & design. (2016) 16, 2040-2051. http://dx.doi.org/10.1021/acs.cgd.5b01690
  2. Boris-Marko Kukovec, Magdalena Malik, Ivan Kodrin, Christer B. Aakeröy, Marijana Đaković, Directed Assembly of acac-Based Complexes by Deliberate Fine-Tuning Electrostratic Molecular-Recognition Events, Crystal growth & design. 16 (2016) 7308–7317. http://dx.doi.org/ 10.1021/acs.cgd.6b01543
  3. Marijana Đaković, Željka Soldin, Boris-Marko Kukovec, Ivan Kodrin, Christer B. Aakeröy, Nea Baus, Tamara Rinkovec, Building inorganic supramolecular architectures using principles adopted from the organic solid state, IUCrJ, 5 (2018) 5, 13-21. https://doi.org/10.1107/S2052252517015494.
  4. Mladen Borovina, Marijana Đaković, Testing the limits of halogen bonding in coordination chemistry, CrystEngComm, 2018, 20, 539-549. https://doi.org/10.1039/c7ce01989k
    Rad je zbog visole ocjene recenzenata istaknut na naslovnici časopisa.

POZVANA PREDAVANJA

  1. M. Đaković, Towards the design of crystalline metal-organic solids, Sveučilište u Beču, Institut für Minerallogie und Crystallography, Universität Wien, 9 June 2017, Vienna, Austria.
  2. M. Đaković, Supramolecular Chemistry and Crystallography: From supramolecular synthesis to practical crystal engineering, 4th European Crystallography School, 2-7 July 2017, Warsaw, Poland.

KONFERENCIJE

  1. N. Matijaković, B.-M. Kukovec, I. Kodrin, M. Đaković, Hierarchy of intermolecular interactions in ternary complexes of cadmium(II), XXIV. Hrvatski skup kemičara i kemijskih inženjera, 21.–24. travnja 2015., Zagreb.
  2. M. Đaković, Ž. Soldin, I. Kodrin, N. Baus, T. Rinkovec, C.B. Aakeröy, Building inorganic architectures using principles borrowed form organic systems, Erice International School of Crystallography, 48th Course, Engineering Crystallogrphy: form Molecue to Cystal to Functional Form, 5-14 June 2015, Erice, Italy. 
  3. I. Kodrin, B.-M. Kukovec, N. Matijaković, M. Đaković, Impact of the secondary amide substitution on polymerization in pyridine-based complexes of Cd(II), Erice International School of Crystallography, 48th Course, Engineering Crystallogrphy: form Molecue to Cystal to Functional Form, 5-14 June 2015, Erice, Italy.
  4. B.-M. Kukovec, M. Malik, M. Đaković,Robustness of the dimeric R22(6) hydrogen bond motif in the crystal structures of ß-diketonato cobalt(II) and nickel(II) complexes with pyridine-based oximes, Erice International School of Crystallography, 48th Course, Engineering Crystallogrphy: form Molecue to Cystal to Functional Form, 5-14 June 2015, Erice, Italy. 
  5. M. Đaković, I. Kodrin, Ž. Soldin, C.B. Aakerӧy, Weak hydrogen bonds as a driving force for polymorphism in Cd(II)-based supramolecular networks, 8th Bologna Convention on Crystal Foms, 14-16 June 2015, Bologna, Italy.
  6. Ž. Soldin, I. Kodrin, M. Đaković, Halogem-bond driven assemblies of copper(II) complexes, 8th Bologna Convention on Crystal Foms, 14-16 June 2015, Bologna, Italy.
  7. M. Đaković, Ž. Soldin, I. Kodrin, C. B. Aakeröy, Halogen-bond mediated assembly of metal-containing architectures, Acta Crystallogr. (2015) A71, s450, 29th European Crystallographic Meeting, 23-28 August 2015,  Rovinj, Croatia.
  8. B. M. Kukovec, N. Penić, N. Matijaković, M. Đaković, The effect of weak interactions on the shape of cadmium(II) coordination polymers with pyridine-based hydrazines, Acta Crystallogr. (2015) A71, s434, 29th European Crystallographic Meeting, 23-28 August 2015, Rovinj, Croatia.
  9. I Kodrin, V. Barbarić, I. Erceg, A. Višnjevac, M. Đaković, The influence of oxime group substitution on hydrogen bonding patterns in pyridine-based complexes of Cd(II), Acta Crystallogr. (2015) A71, s484, 29th European Crystallographic Meeting, 23-28 August 2015, Rovinj, Croatia.
  10. M. Borovina, M. Malik, T. Lijić, G. Talajić, I. Kodrin, B. M. Kukovec, M. Đaković, Tailoring supramolecular assemblies of β-diketonato Co(II) and Ni(II) complexes, Acta Crystallogr. (2015) A71, s428, 29th European Crystallographic Meeting, 23-28 August 2015, Rovinj, Croatia.
  11. M. Borovina, M. Đaković, I.Kodrin, Istraživanje strukturnog krajolika prejzaža ß-diketonato kompleksa Co2+, Ni2+ i Cu2+ s jednostavnim heterocikličkim organskim ligandima, 1. Simpozij studenara doktorskih studija PMF-a, 26. veljače 2016., Zagreb, Hrvatska.
  12. N. Baus, T. Rinkovec, N. Matijaković, M. Đaković, Istraživanja postojanosti supramolekulskih motiva u anorganskim sustavima, XI. Susret mladih mekijskih inženjera, 18.-19. veljače 2016., Zagreb, Hrvatska.
  13. M. Đaković, I. Kodrin, Ž. Soldin, C.B. Aakeroy, Halogen bonding interaction in assemblies of metal complexes: Resemblance to hydrogen bond, 2nd International Symposium on Halogen Bond, 6-10 June 2016, Gothenburg, Sweden.
  14. M. Đaković, I. Kodirn, B.-M. Kukovec, M. Borovina, C.B. Aakeroy, Targeting a Supramolceular Motif by Tuning Hydrogen-bond Donor and Acceptor Power, American Crystallographic Association 66th Annual Meeting, 22-26 July 2016, Denver, CO, USA.
  15. B.-M. Kukovec, I. Kodrin, M. Đaković, Temperature-induced single-crysta-to-single-crystal polymorph transformation in cadmium(II) trimer with pyridine-4-propanamide, 30th European Crystallogrpaphic Meeting, 28 August - 1 September 2016, Basel, Switzerland.
  16. M. Đaković, M. Borovina, Ž. Soldin, I. Kodrin, A. Višnjevac, C.B. Aakeroy, From versatile hydrogen- and halogen-bond acceptors to elstic bending of metal-containing architectures, 30th European Crystallogrpaphic Meeting, 28 August - 1 September 2016, Basel, Switzerland.
  17. M. Borovina, I. Kodrin, M. Đaković, Transferability of selected supramolecular synthons from organic to metal-organic systems, 3rd European Crystallography School, 25 September - 2 October 2016, Bol, Croatia.
  18. I. Kodrin, V. Barbarić, M. Đaković, The oxime moiety in metal-organic systems: The cadmium(II) study case, 3rd European Crystallography School, 25 September - 2 October 2016, Bol, Croatia.
  19. B.-M. Kukovec, M. Đaković, The influence of halide and pseudohalide ions on dimensionality of cadmium(II) complexes with selected pyridine-3-amides, 24th Croatian-Slovenian Crystallographic Meeting, 22-25 September 2016, Bol, Croatia.
  20. I. Gregorović, K. Kolarić, M. Borovina, M. Đaković, Halogen interactions in selected ß-diketonato complexes, 24th Croatian-Slovenian Crystallographic Meeting, 22-25 September 2016, Bol, Croatia.
  21. N. Baus, T. Rinkovec, M. Đaković, Cadmium(II) polymers as building units of predictable supramolecular assemblies, 24th Croatian-Slovenian Crystallographic Meeting, 22-25 September 2016, Bol, Croatia.
  22. K. Kolarić, I. Gregorović, M. Borovina, M. Đaković, Crystal strucutre of selected ß-diketonato complexes containing unusually close NO2···NO2 contacts, 24th Croatian-Slovenian Crystallographic Meeting, 22-25 September 2016, Bol, Croatia.
  23. T. Rinkovec, N. Baus, M. Đaković, Targeting a desired supramolecular motiv by emplying a supramolecular 'protecting group'?, 24th Croatian-Slovenian Crystallographic Meeting, 22-25 September 2016, Bol, Croatia.
  24. M. Borovina, I. Kodrin, M. Đaković, Investigatin the role of different halogen interactions on Crystal packing: From potential type-I of X···X interactions to X···pi contacts, 24th Croatian-Slovenian Crystallographic Meeting, 22-25 September 2016, Bol, Croatia.
  25. M. Đaković, B.-M. Kukovec, I. Kodrin, C.B. Aakeroy, Fine-tuning the supramolecular reaction condition of metal-containing systems, 24th Croatian-Slovenian Crystallographic Meeting, 22-25 September 2016, Bol, Croatia.
  26. Ž. Soldin, Synthesis and structural characterization of Cd(II) coordination polymers: Supramolesular architectures stabilizied by noncovalent interactions, 25. hrvatski skup kemičara i kemijskih inženjera, 19-22. travnja 2017, Poreč, Croatia.
  27. M. Borovina, Supramolecular potential of halogen interactions in metal-organic systems of Co(II) and Ni(II) pentante-2,4-dionato complexes, 25. hrvatski skup kemičara i kemijskih inženjera, 19-22. travnja 2017, Poreč, Croatia.
  28. B.-M. Kukovec, The persistance of dimeric R22(6) hydrogen bond motif in cadmium(II) acac-based complexes, 25. hrvatski skup kemičara i kemijskih inženjera, 19-22. travnja 2017, Poreč, Croatia.
  29. M. Borovina, Computationall yaugmented crystallographic study of hydrogen/halogen bond switching in selected Co(II) and Ni(II) pentane-2,4-dionato complexes, 25th Slovenian-Croatian Crystallographic Meeting, 14-16 June 2017, Ljubljana, Slovenia
  30. M. Đaković, Towards tailoring of metal-containing bending crystals, 25th Slovenian-Croatian Crystallographic Meeting,14-16 June 2017, Ljubljana, Slovenia
  31. I. Kodrin, Calculation of molecular electrostatic potential of coordination polymers, 25th Slovenian-Croatian Crystallographic Meeting, 14-16 June 2017, Ljubljana, Slovenia
  32. I. P. Čališ, One-pot mechanochemical synthesis of acac-based copper(II) complexes wit oximes, 25th Slovenian-Croatian Crystallographic Meeting,14-16 June 2017, Ljubljana, Slovenia
  33. L. Šmital, Fine-tuning the supramolecular synthetic conditions of acac-based Cu(II) complexes with a series of pyridiloximes, 25th Slovenian-Croatian Crystallographic Meeting, 14-16 June 2017, Ljubljana, Slovenia
  34. M. Tomić, Copper(II) halide complexes with pyridine-oxime ligands, 25th Slovenian-Croatian Crystallographic Meeting, 14-16 June 2017, Ljubljana, Slovenia
  35. M. Borovina, A computational and crystallographic study of halogen...pi inteactions in selcted Co(II) and Ni(II) beta-diketonates, Solid State Science and Research, 28-30 June 2017, Zagreb, Croatia.
  36. N. Penić, Transfer of selected hydrogen bonding motifs from organic to metal-organic systems using copper halides, Solid State Science and Research, 28-30 June 2017, Zagreb, Croatia.
  37. M. Đaković, Supramolecular synthetic protocolas for targeting specific topologies of metal-containing systems, IUCr2017 Congress and General Assembly of International Union of Crystallography, 21-28 August 2017, Hyderaba, India.
  38. Ž. Soldin, Supramolecular assembly in metal containing architectures - structural and thermal characterization, 13th Mediterranean Conference on Calorimetry and Thermal Analysis, 24-27 September 2017, Loano, Italy.

 

OSTALE AKTIVNOSTI

  1. Rad nagrađen Rektorovnom nagradom Sveučilišta u Zagrebu:  N. Matijaković, N. Penić, Polimerizacija halogenidnih i pseudohalogenidnih komleksa kadmija(II) s izonijazidom i niazidom, 18. lipnja 2015. Zagreb.
  2. Obrana diplomskog rada: N. Matijaković, Međumolekulske interakcije i dimenzionalnost kompleksnih spojeva kadmija(II) s amidnim derivatima piridina, Zagreb, 25. rujna 2015.
  3. Rad nagrađen Rektorovom nagradom Sveučilišta u Zagrebu: V. Barbarić, Međumolekulske interakcije u kristalnim strukturama halogenidnih Cd(II) kompleksa s oksimskim ligandima, 17. lipnja 2016. Zagreb.
  4. Obrana diplomskog rada: T. Nakani, Halogenska interakcija u supramolekulskim arhitekturama halogenidnih kadmijevih(II) kompleksa s derivatima pirazina, Zagreb, 20. prosinca 2016.
  5. Obrana diplomskog rada: I. Kovačec, Supramolekulsko udruživanje kompleksa bakra(I) i bakra(II) s pirazinskim ligandima, Zagreb, 10. veljače 2017.
  6. Obrana diplomskog rada: V. Barbarić, Supramolekulski motivi u kristalnim strukturama kadmijevih(II) kompleksa s odabranim oksimima – od strukture do elastičnih svojstava, Zagreb, 27. veljače 2017.
  7. Rad nagrađen Rektorovom nagradom Sveučilišta u Zagrebu: I. P. Čališ, Razvoj i optimizacija "one–pot" metode mehanokemijske sinteze za pripravu kompleksa metala: Studija priprave piridin-4-aldehid-oksimbis(3-klorpentan-2,4-dionato)bakra(II), 16. lipnja 2017. Zagreb.
  8. Obrana diplomskog rada: I. P. Čališ: Acetilacetonatni kompleksi bakra(II) s odabranim oksimskim ligandima, Zagreb, 22. rujna 2017.
  9. Obrana diplomskog rada: Z. Kukavica:Priprava i karakterizacija spojeva nikla(II) s derivatima pirazina, Zagreb, 29. rujna 2017.
  10. Obrana diplomskog rada: D. Kos: Sinteza i karakterizacija heksafluoroacetilacetonatnih kompleksa bakra(II) i nikla(II) s amidnim derivatima piridina, Zagreb, 8. prosinca 2017.
  11. Obrana diplomskog rada: K. Bukvić, Heksafluoroacetilacetonatni kompleksi kadmija(II) s amidnim derivatima piridina, Zagreb, 14. prosinca 2017.

 
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