Theoretical and Spectroscopical Study of Short lived Organometallic Compounds  Page description

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Details of project

  
Identifier
48796
Type K
Principal investigator Veszprémi, Tamás
Title in Hungarian Rövid élettartamú elemorganikus vegyületek elméleti és spektroszkópiai vizsgálata
Title in English Theoretical and Spectroscopical Study of Short lived Organometallic Compounds
Panel Chemistry 1
Department or equivalent Department of Inorganic and Analytical Chemistry (Budapest University of Technology and Economics)
Participants Bajor, Gábor
Nyakas, Péter
Oláh, Julianna
Olasz, András Miklós
Pintér, Balázs
Starting date 2005-01-01
Closing date 2009-03-31
Funding (in million HUF) 7.800
FTE (full time equivalent) 13.31
state closed project





 

Final report

  
Results in Hungarian
Kutatási programunk három fő tématerületet foglalt magában. Ezek a következők: 1.Főcsoportbeli elemeket tartalmazó ill ezekkel az elemekkel szubsztituált gyűrűk szerkezetének, fluxionalitásának és aromaticitásának vizsgálata. 2.N=S=N-S fragmentumokat tartalmazó vegyületek szerkezetvizsgálata. 3.Alacsony koordinációs számú foszfororganikus vegyületek reaktivitásának vizsgálata. A közös e témákban az, hogy erősen reaktív, instabilis anyagokról van szó. Munkánk egyik célja éppen annak a kérdésnek a megvizsgálása volt, hogy hogyan lehet e származékokat stabilissá tenni. Munkánkat külföldi kutatócsoportokkal közösen végeztük. A külföldi csoportok fő feladata a vegyületek előállítása volt. Eredményeinket 24 közleményben publikáltuk, ezek összesített impakt indexe 66,88, átlagos impakt indexe 2,79.
Results in English
Three main project points were investigated in the recent research project: 1.The structure, fluxionality and aromaticity of ring structures included and substituted with main group elements, 2.Structural study of compounds containing N=S=N-S fragments and 3.Reactivity of low-coordinater organophosphorus compounds. These compounds are highly reactive, short lived derivatives. The common aim of this project was to study the question of stabilizability. During the project we collaborated with foreign research groups. The main task of these groups was the synthesis. The results were published in 24 publications. The sum of the impact index is 66.88, the average impact index is 2.79.
Full text https://www.otka-palyazat.hu/download.php?type=zarobeszamolo&projektid=48796
Decision
Yes





 

List of publications

  
Ito, S., Miyake, H., Yoshifuji, M., Höltzl, T., Veszprémi, T.: Synthesis of Phosphorus Ylides Bearing a P-H Bond from a Kinetically Stabilized 1,3,6-Triphosphafulvene., Chemistry, a European Journal, 11, 5960-5965, 2005
Tersago, Karla, Oláh, Julianna, Martin, Jan M.L., Veszprémi, Tamás, Van Alsenoy, Christian, Blockhuys, Frank: Is there a Satisfactory description og the Molecular Structure of Roesky’s Ketone?, Chem. Phys. Letters, , 413, 440-444, 2005
Olasz, A., Mignon, P., Proft, F., Veszprémi, T., Geerlings, P.: Effect of π-π stacking interaction on the acidity of phenol., Chem. Phys. Letters, 407, 504-509, 2005
Höltzl, T., Veszprémi, T., Nguyen, M.T.: Chemical Bonding in Zwitterionic Diamino-meta-quinoids and their Isomers., J. Phys. Org. Chem., 18, 1-9, 2005
Nguyen, H.M.T., Höltzl, T., Gopakumar, G., Veszprémi, T., Peeters, J., Nguyen, M.T.: Energetics and chemical bonding of the 1,3,5-tridehidrobenzene triradical and its protonated form., Chem. Phys., 316, 125-140, 2005
Xin-Juan Hou, Phung Quan, Tibor Höltzl, Tamás Veszprémi and Minh Tho Nguyen: Theoretical Study of Low-lying Triplet States of Aniline., Journal of Physical Chemistry A 109, 10396-10402, 2005
Veszprémi, T. Olasz, A., Pintér, B.: Structure and Isomeriztion of Cyclometallenes, Silicon Chemistry, 2006
Tibor Höltzl, Dénes Szieberth, Minh Tho Nguyen, Tamás Veszprémi: Formation of phosphaethyne dimers: A mechanistic study., Chemistry, a European Journal, 12, 8044-8055, 2006., 2006
Tamás Kárpáti, Tamás Veszprémi, Natesan Thirupathi, Xiaodong Liu, Zhigang Wang, Arkady Ellern, László Nyulászi, and John G. Verkade: Synthesis and Photoelectron Spectroscopic Studies of N(CH2CH2NMe)3P=E (E ) O, S, NH, CH2), J. Am. Chem. Soc.2006, 128, 1500-1512., 2006
Frank Blockhuys, Julianna Oláh, Frank Blockhuys, Tamás Veszprémi, Christian Van Alsenoy:: On the Usefulness of Bond Orders and Overlap Populations to Chalcogen-Nitrogen Systems., European Journal of Inorg. Chem. 2006, 69-77., 2006
Tamás Veszprémi, Klára Petrov, and Chinh T. Nguyen: From Silaallene to Cyclotrisilanylidene., Organometallics, 2006, 25, 1480-1484, 2006
Balázs Németh, Csaba Wéber, Tamás Veszprémi, Tamás Gáti, Ádám Demeter: Carbon Protonation of 2,4,6-Triaminopyrimidines: Synthesis, NMR Study and theoretical Calculations., J. Org. Chem. 2006, 71, 4910-4918., 2006
Julianna Oláh, Frank De Proft, Tamás Veszprémi and Paul Geerlings: Relationship between electrophilicity and spin-philicity of divalent and monovalent species of group 14 and 15 elements., Journal of Molecular Structure: THEOCHEM, 771, 135-140 (2006)., 2006
Höltzl, T., Veszprémi, T., Nguyen, M.T.: Mono-di-tri- and tetraphosphafulvenes: Electronic Structure, Theochem, 811, 27, 2007
J.-C. Guillemin, G. Bajor, El-Hassan Riague, B. Khater, Veszprémi, T.,: Allenyl- and Alkenyl Selenols and Selenocyanates. Synthesis, Spectroscopy and Quantum Chemical Study., Organometallics, 26, 2507., 2007
Balázs Pintér, András Olasz, Klára Petrov, Tamás Veszprémi: Cyclotrimetallenes: Bridged and Distorted Structuers., Organometallics, 2006, 26, 3677., 2007
Julianna Oláh, Tamás Veszprémi, Frank De Proft, and Paul Geerlings: Sililenes: A Unified Picture of their Stability,Acid-Base and Spin-Properties, electrophilicity and nucleophilicity., J. Phys. Chem.A, 2007, 111, 10815-10823, 2007
Balázs Pintér, Frank De Proft, Tamás Veszprémi, and Paul Geerlings: Theoretical Study of the Orientation Rules in Photonucleophilic Aromatic Substitutions., Journal of Organic Chemistry (2008), 73(4), 1243-1252., 2008
Khater, Brahim; Guillemin, Jean-Claude; Bajor, Gábor; Veszprémi, Tamás: Functionalized Tellurols: Synthesis, Spectroscopic Characterization by Photoelectron Spectroscopy, and Quantum Chemical Study., Inorganic Chemistry 47, 1502-1511 (2008)., 2008
Balázs Pintér, Tamás Veszprémi,: Synthesizability of the Heavy Analogues of Disubstituted Cyclopropenylidene: A Theoretical Study., Organometalics, 27, 5571-5576 (2008)., 2008
Hargittai Magdolna, Kovács Attila, Nyulászi László, Veszprémi Tamás:: Számítógéppel a periódusos rendszerben., Magyar Kémiai Folyóirat, 114, 95 (2008)., 2008
Farman Ullah, Anca I. Oprea, Markus K. Kindermann, Gábor Bajor, Tamás Veszprémi, Joachim Heinicke: Homologues of N-heterocyclic carbenes: Detection and electronic structure of N-bridgehead pyrido[a]-anellated 1,3,2-diazagermol-2-ylidenes., J. Organomet. Chem. 694, 397-403, (2009)., 2009
Balázs Németh, Brahim Khater, Tamás Veszprémi, Jean-Claude Guillemin: Consequence of Complexation of Unsaturated Phosphines with Borane. Synthesis, Photoelectron Spectroscopy and Quantum Chemical Study., Dalton. Trans. 2009, DOI: 10.1039/b823186a, 2009
Farman Ullah, Olaf Kühl, Gábor Bajor, Tamás Veszprémi, Peter G. Jones,: Transition metal complexes of N-Heterocyclic Germylenes., Eur. J. Inorg. Chem. 2009, 221-229., 2009



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