Laserspektroskoopia seminar No 259 | Tartu Ülikooli Füüsika Instituut

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TÜ üksuste kontaktandmed

humanitaarteaduste ja kunstide valdkond
Faculty phone: 
737 5341
Faculty address: 
Jakobi 2, ruumid 116–121, 51014 Tartu
  • valdkonna dekanaat
    Faculty phone: 
    737 5341
    Faculty address: 
    Jakobi 2, ruumid 116–121, 51005 Tartu
  • ajaloo ja arheoloogia instituut
    Faculty phone: 
    737 5651
    Faculty address: 
    Jakobi 2, 51005 Tartu
  • eesti ja üldkeeleteaduse instituut
    Faculty phone: 
    737 5221
    Faculty address: 
    Jakobi 2, IV korrus, 51005 Tartu
  • filosoofia ja semiootika instituut
    Faculty phone: 
    737 5314
    Faculty address: 
    Jakobi 2, ruumid 309–352, 51005 Tartu
  • kultuuriteaduste instituut
    Faculty phone: 
    737 5223
    Faculty address: 
    Ülikooli 16, 51003 Tartu
  • maailma keelte ja kultuuride kolledž
    Faculty address: 
    J. Liivi 4, 50409, Tartu
  • usuteaduskond
    Faculty phone: 
    737 5300
    Faculty address: 
    Ülikooli 18-310, 50090 Tartu
  • Viljandi kultuuriakadeemia
    Faculty phone: 
    435 5232
    Faculty address: 
    Posti 1, 71004 Viljandi
sotsiaalteaduste valdkond
Faculty phone: 
737 5957
Faculty address: 
Lossi 36, 51003 Tartu
  • valdkonna dekanaat
    Faculty phone: 
    737 5900
    Faculty address: 
    Lossi 36, 51003 Tartu
  • haridusteaduste instituut
    Faculty phone: 
    737 6440
    Faculty address: 
    Salme 1a–29, 50103 Tartu
  • Johan Skytte poliitikauuringute instituut
    Faculty phone: 
    737 5582
    Faculty address: 
    Lossi 36–301, 51003 Tartu
  • majandusteaduskond
    Faculty phone: 
    737 6310
    Faculty address: 
    Narva mnt 18, 51009 Tartu
  • psühholoogia instituut
    Faculty phone: 
    737 5902
    Faculty address: 
    Näituse 2, 50409 Tartu
  • õigusteaduskond
    Faculty phone: 
    737 5390
    Faculty address: 
    Näituse 20–324, 50409 Tartu
  • ühiskonnateaduste instituut
    Faculty phone: 
    737 5188
    Faculty address: 
    Lossi 36, 51003 Tartu
  • Narva kolledž
    Faculty phone: 
    740 1900
    Faculty address: 
    Raekoja plats 2, 20307 Narva
  • Pärnu kolledž
    Faculty phone: 
    445 0520
    Faculty address: 
    Ringi 35, 80012 Pärnu
meditsiiniteaduste valdkond
Faculty phone: 
737 5326
Faculty address: 
Ravila 19, 50411 Tartu
  • valdkonna dekanaat
    Faculty phone: 
    737 5326
    Faculty address: 
    Ravila 19, 50411 Tartu
  • bio- ja siirdemeditsiini instituut
    Faculty phone: 
    737 4210
    Faculty address: 
    Biomeedikum, Ravila 19, 50411 Tartu
  • farmaatsia instituut
    Faculty phone: 
    737 5286
    Faculty address: 
    Nooruse 1, 50411 Tartu
  • hambaarstiteaduse instituut
    Faculty phone: 
    731 9856
    Faculty address: 
    Raekoja plats 6, 51003 Tartu
  • kliinilise meditsiini instituut
    Faculty phone: 
    737 5323
    Faculty address: 
    L. Puusepa 8, 50406 Tartu
  • peremeditsiini ja rahvatervishoiu instituut
    Faculty phone: 
    737 4190
    Faculty address: 
    Ravila 19, 50411 Tartu
  • sporditeaduste ja füsioteraapia instituut
    Faculty phone: 
    737 5360
    Faculty address: 
    Jakobi 5–205, 51005 Tartu
loodus- ja täppisteaduste valdkond
Faculty phone: 
737 5820
Faculty address: 
Vanemuise 46–208, 51014 Tartu
  • valdkonna dekanaat
    Faculty phone: 
    737 5820
    Faculty address: 
    Vanemuise 46–208, 51003 Tartu
  • arvutiteaduse instituut
    Faculty phone: 
    737 5445
    Faculty address: 
    Narva mnt 18, 51009 Tartu
  • Eesti mereinstituut
    Faculty phone: 
    671 8902
    Faculty address: 
    Mäealuse 14, 12618 Tallinn
  • füüsika instituut
    Faculty address: 
    W. Ostwaldi 1, 50411 Tartu
  • keemia instituut
    Faculty phone: 
    737 5261
    Faculty address: 
    Ravila 14a, 50411 Tartu
  • matemaatika ja statistika instituut
    Faculty phone: 
    737 5860
    Faculty address: 
    Narva mnt 18, 51009 Tartu
  • molekulaar- ja rakubioloogia instituut
    Faculty phone: 
    737 5027
    Faculty address: 
    Riia 23, 23b–134, 51010 Tartu
  • Tartu observatoorium
    Faculty phone: 
    737 4510
    Faculty address: 
    Observatooriumi 1, Tõravere, 61602 Tartumaa
  • tehnoloogiainstituut
    Faculty phone: 
    737 4800
    Faculty address: 
    Nooruse 1, 50411 Tartu
  • ökoloogia ja maateaduste instituut
    Faculty phone: 
    737 5835
    Faculty address: 
    Vanemuise 46, 51003 Tartu
Asutused
  • raamatukogu
    Faculty phone: 
    737 5702
    Faculty address: 
    W. Struve 1, 50091 Tartu
  • teaduskool
    Faculty phone: 
    737 5581
    Faculty address: 
    Uppsala 10, 51003 Tartu
  • genoomika instituut
    Faculty phone: 
    737 4000
    Faculty address: 
    Riia 23b, 51010 Tartu
  • muuseum
    Faculty phone: 
    737 5674
    Faculty address: 
    Lossi 25, 51003 Tartu
  • loodusmuuseum ja botaanikaaed
    Faculty phone: 
    737 6076
    Faculty address: 
    Vanemuise 46, 51003 Tartu
Tugiüksused
  • ettevõtlus- ja innovatsioonikeskus
    Faculty phone: 
    737 4809
    Faculty address: 
    Narva mnt 18, 51009, Tartu
  • grandikeskus
    Faculty phone: 
    737 6215
    Faculty address: 
    Raekoja plats 9, 51004 Tartu
  • hankeosakond
    Faculty phone: 
    737 6632
    Faculty address: 
    Ülikooli 18a, 51005 Tartu
  • infotehnoloogia osakond
    Faculty phone: 
    737 6000, arvutiabi: 737 5500
    Faculty address: 
    Ülikooli 18a, 51005 Tartu
  • kantselei
    Faculty phone: 
    737 5606
    Faculty address: 
    Ülikooli 18a, 51005 Tartu
  • kinnisvaraosakond
    Faculty phone: 
    737 5137
    Faculty address: 
    Ülikooli 18a, 51005 Tartu
  • kirjastus
    Faculty phone: 
    +372 737 5945
    Faculty address: 
    W. Struve 1, 50091 Tartu
  • personaliosakond
    Faculty phone: 
    737 5145
    Faculty address: 
    Ülikooli 18, ruumid 302 ja 304, 50090 Tartu
  • rahandusosakond
    Faculty phone: 
    737 5125
    Faculty address: 
    Jakobi 4, 51005 Tartu
  • rektoraadi büroo
    Faculty phone: 
    737 5600
    Faculty address: 
    Ülikooli 18, 51014 Tartu
  • siseauditi büroo
    Faculty address: 
    Ülikooli 18–244, 51005 Tartu
  • Tallinna esindus
    Faculty phone: 
    737 6600
    Faculty address: 
    Teatri väljak 3, 10143 Tallinn
  • turundus- ja kommunikatsiooniosakond
    Faculty phone: 
    737 5687
    Faculty address: 
    Ülikooli 18, ruumid 102, 104, 209, 210, 50090 Tartu
  • õppeosakond
    Faculty phone: 
    737 5620
    Faculty address: 
    Ülikooli 18, 50090 Tartu
  • üliõpilasesindus
    Faculty address: 
    Ülikooli 18b, 51005 Tartu
Muud üksused
  • MTÜ Tartu Ülikooli Akadeemiline Spordiklubi
    Faculty phone: 
    737 5371
    Faculty address: 
    Ujula 4, 51008 Tartu
  • MTÜ Tartu Üliõpilasküla
    Faculty phone: 
    740 9959
    Faculty address: 
    Narva mnt 25, 51013 Tartu
  • MTÜ Tartu Üliõpilasmaja
    Faculty phone: 
    730 2400
    Faculty address: 
    Kalevi 24, Tartu
  • SA Tartu Ülikooli Kliinikum
    Faculty phone: 
    731 8111
    Faculty address: 
    L. Puusepa 1a, 50406 Tartu
  • Tartu Ülikooli Sihtasutus
    Faculty phone: 
    737 5852
    Faculty address: 
    Ülikooli 18a–106, Tartu

Laserspektroskoopia seminar No 259

Kuupäev: 
11.06.2018 - 14:15

Esmaspäeval, 11. juunil 2018  kell 14.15 toimub Physicumis, W.Ostwaldi 1  seminariruumis D312

Laserspektroskoopia seminar  No 259

 

 Esineb  Dr. Veera Krasnenko , TÜ FI laserspektroskoopia labor 

The similarity of vibronic mechanisms during dimerization and reverse recovery of the aromatic compounds

The vibronic interactions may play a significant role in the covalent bonds formation and breaking between adjacent aromatic compounds. The recent investigations [1-4] have predicted the possibility of covalent dimerization of benzene molecules (bi-benzene), covalently conjoined structures of benzene molecule and graphene sheet (graphene can consider as an indefinitely large aromatic molecule) indicating on the similar vibronic mechanism of their formation.

The existence of the above-described structures is confirmed by the presence of dimerized thymine bases in deoxyribonucleic acid (DNA), which may lead to skin cancer (see, e.g. [5-7]). Moreover, according to performed research, the most energetically favorable of the predicted structures of bi-benzene, benzene-graphene and thymine-graphene have a very similar shape, like the thymine dimer created by UV light in DNA [5]. The thymine nucleobase is a pyrimidine derivative, which has a six-membered aromatic ring similar to a central structure of the benzene molecule, but with two nitrogen atoms in the ring instead of carbons. The resemblance of the central structural elements in these aromatic molecules allows suggesting that the formation and reverse dissociation of dimers is determined by analogous vibronic mechanisms. Thus, UV radiation of aromatic molecules, physisorbed on graphene, may lead to the appearance of covalent functionalization of graphene basal plane. 

The purpose of this work is to apply developed in Refs. [1-3] the vibronic interactions calculation method for investigation of excited states of molecular dimers in DNA and molecules on graphene. In this work, the results of numerical calculations of the potential surface of bi-benzene (with a view to determining a pathway of formation of the thymine dimers in DNA) and the covalently bound structure of thymine molecule and graphene sheet (with a view to promoting the functionalization of graphene) are presented. The Raman spectra to determine how covalently bound structures differ from the initial ones were calculated using DFT (Density Function Theory) method. The calculated spectra are in a good agreement with available experimental data and are significantly different, depending on the presence or absence of covalent bonds between the compounds studied.

1. V. Krasnenko, V. Boltrushko, V. Hizhnyakov, “Vibronic interactions proceeding from combined analytical and numerical considerations: Covalent functionalization of graphene by benzene, distortions, electronic transitions“, J. Chem. Phys. 144(13), 134708 (2016). doi:10.1063/1.4944990

2. V. Boltrushko, V. Krasnenko, V. Hizhnyakov, “Pseudo Jahn-Teller effect in stacked benzene molecules“, Chem.Phys. 460, 90-96 (2015). doi:10.1016/j.chemphys.2015.03.006

3. V. Krasnenko, V. Boltrushko, V. Hizhnyakov, “Distorted allotropes of bi-benzene: vibronic interactions and electronic excitations. IOP Conf.Ser.:J.Phys.:Conf.Ser. 833, 12009 (2017). doi:10.1088/1742-6596/833/1/012009.

4. V. Krasnenko, J. Kikas, M. G.  Brik, “Modification of the structural and electronic properties of graphene by the benzene molecule adsorption“, Phys.B: Condens.Matter. 407(23), 4557-4561 (2012).

5. H. E. Johns, S. A. Rapaport, M. Delbrüeck, “Photochemistry of thymine dimers“, J Mol Biol. 4, 104-114, (1962). doi:10.1038/197484a0

6. W. J. Schreier, T. E. Schrader, F. O. Koller, et al. “Thymine dimerization in DNA is an ultrafast photoreaction“, Science.  315(5812), 625-629 (2007). doi:10.1126/science.1135428.

7. J. A. Marteijn, H. Lans, W. Vermeulen, J. H. J. Hoeijmakers, “Understanding nucleotide excision repair and its roles in cancer and ageing“. Nat.Rev.Mol.Cell Biol. 15(7), 465-481 (2014). doi:10.1038/nrm3822.

Kontakti nimi: 
Ilmo Sildos
Kontakti amet: 
vanemteadur
Kontakti e-post: 
ilmo.sildos@ut.ee
Kontakti telefon: 
737 4613
Toimumiskoht: 
TÜ Füüsika Instituut, W.Ostwaldi 1, D312
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