Present Research Topics

Heteropropene, heteroallene derivatives and their transition metal complexes
E-C=E, E=C=E, where E= p-block element, (ex. P, Si, Ge, Sn)

Heteropropene, heteroallene derivatives

  • 1. New stable 3,1-germaphosphapropenes. Synthesis and structural characterization, Lavinia Buta, Raluca Septelean, Ionut-Tudor Moraru, Albert Soran, Luminita Silaghi-Dumitrescu, Gabriela Nemes, Inorganica Chimica Acta, 2019, 486, 648-653.
  • 2. Novel Stable Phosphastannapropene Derivatives. Synthesis and Characterization
    Petronela M. Petrar, Raluca Septelean, Heinz Gornitzka, Gabriela Nemes, J. Organomet. Chem, 2015, 787, 14-18.
  • 3. Comparison of reactivity of phosphagermaallene Tip(t-Bu)Ge=C=PMes* towards sulfur ylides
    Tibor-Gábor Kocsor, Noemi Deak; Dumitru Ghereg, Gabriela Nemes; Jean Escudié, Heinz Gornitzka*; Sonia Ladeira; Annie Castel, J. Organomet. Chem., 2014, 755, 120-124.
  • 4. New silyl-substituted phosphaalkenesMes*P=C(Cl)-Si(Cl)PhR, promising building blocks in silicon and phosphorus chemistry
    Agota Bartok, RalucaSeptelean, Petronela M. Petrar, Gabriela Nemes, LuminitaSilaghi-Dumitrescu, Henri Ranaivonjatovo, Sonia Mallet-Ladeira, Nathalie Saffon, Catherine Hemmert, Heinz Gornitzka, J. Organomet. Chem., 2013, 724, 200-205.
  • 5. vic-Dichlorodiphosphapropanes – Synthesis and coordination ability
    Raluca Septelean, Gabriela Nemes, Jean Escudie, Ioan Silaghi-Dumitrescu, Henri Ranaivonjatovo, Petronela Petrar, Heinz Gornitzka, L. Silaghi-Dumitrescu, N. Saffon, Eur. J. Inorg. Chem, 2009, 628-634.
  • 6. 1,3-Digermacyclobutanes with exocyclic C=P and C=P=S double Bonds
    Petronela Maria Petrar, Gabriela Nemes, Ioan Silaghi-Dumitrescu, Henri Ranaivonjatovo, Heinz Gornitzka and Jean Escudié, Chem. Commun., 2007, 40, 4149–4151.
  • 7. New Digermylalkenes and Digermylalkynes: [1,3]-Chlorine Shift in Organogermanium Chemistry?
    Gabriela Nemes, Jean Escudie, Ioan Silaghi-Dumitrescu, Henri Ranaivonjatovo, Luminita Silaghi-Dumitrescu, Heinz Gornitzka, Organometallics, 2007, 26(21), CCC26, 5136-5139.
  • 8. Phosphavinylidene(oxo)phosphorane Mes*P(O)=C=PMes*: A Diphosphaallene Featuring λ5σ3- and λ3σ2-Phosphorus Atoms
    Raluca Septelean, Henri Ranaivonjatovo, Gabriela Nemes, Jean Escudié, Ioan Silaghi-Dumitrescu, Heinz Gornitzka, Luminita Silaghi-Dumitrescu,Stephane Massou, Eur. J. Inorg. Chem., 2006, 4237-4241.

Metallylenes and their transition metal complexes
R-(Cl)E:, R2E: , where E = Ge, Sn

Metallylenes and their transition metal complexes

  • 1. The role of monoanionic aryl pincer ligands in the stabilization of group 14 metallylenes
    Noémi Deak, David Madec, Gabriela Nemes, European Journal of Inorganic Chemistry, 2020, DOI: 10.1002/ejic.202000409.
  • 2. A non-symmetric sulfur-based O,C,O-chelating pincer ligand leading to chiral germylene and stannylene
    Noemi Deak, Olivier Thillaye du Boullay, Ionut-Tudor Moraru, Sonia Mallet-Ladeira, David Madec, Gabriela Nemes, Dalton Transactions, 2019, 48, 2399-2406.
  • 3. Reactivity of bis-Sulfonyl O,C,O-Chelated-Metallylenes in Cycloaddition with ortho-Quinone: An Experimental and Computational Study
    Noémi Deak, Ionut-Tudor Moraru, Nathalie Saffon-Merceron, David Madec, Gabriela Nemes, European Journal of Inorganic Chemistry, 2017, 36, 4214-4220.
  • 4. Bis-sulfonyl O,C,O-chelated metallylenes (Ge, Sn) as adjustable ligands for iron and tungsten complexes
    Noémi Deak, Petronela Petrar, Sonia Mallet-Ladeira, Luminita Silaghi-Dumitrescu , Gabriela Nemes, David Madec, Chemistry - A European Journal, 2016, 22, 1349-1354.
  • 5. N-Heterocyclic Carbene Stabilized Phosphaalkenyl(chloro)stannylene
    Tibor G. Kocsor, Gabriela Nemes, Natalie Saffon, Sonia Mallet-Ladeira, David Mandec, Annie Castel, Jean Escudie, Dalton Trans., 2014, 43, 2718-2721.
  • 6. Chalcogeno[bis(phosphaalkenyl)] germanium and tin compounds
    Tibor G. Kocsor, Dimitri Matioszek, Gabriela Nemes, Annie Castel, Jean Escudié, Petronela M. Petrar, Nathalie Saffon-Merceron, Ionel Haiduc, Inorganic Chemistry, 2012, 51, 7782−7787.
  • 7. Phosphaalkenylgermylenes and their gold, tungsten and molybdenum complexes
    Dimitri Matioszek, Tibor-Gábor Kocsor, Annie Castel, Gabriela Nemes, Jean Escudié, Nathalie Saffon, Chemical Communications, 2012, 48, 3629-3631.
  • 8. Designing bis(phosphaalkenyl)germylenes and their tungsten complexes – a theoretical study
    Tibor-Gábor Kocsor, Petronela M. Petrar, Gabriela Nemeş, Annie Castel, Jean Escudié, Noemi Deak, Luminita Silaghi-Dumitrescu, Computational Theoretical Chemistry, 2011, 974,117-121.

Theoretical characterization of p-block element compounds through molecular modelling and NBO analysis

Molecular Modeling

  • 1. Theoretical Aspects of Main Group Multiple Bonded Systems
    Ioan Silaghi-Dumitrescu, Petronela Petrar, Gabriela Nemeş, R. Bruce King, Computational Inorganic and Bioinorganic Chemistry, Edward I. Solomon (Editor), Robert A. Scott (Co-Editor), R Bruce King (Co-Editor), John Wiley & Sons, 2009. ISBN: 978-0-470-69997-3.
  • 2. In Silico Quest for Stable Phosphastannaallenes
    Raluca Septelean, Ionut Moraru, Tibor Kocsor, Noemi Deak, Nathalie Saffon, Annie Castel, Gabriela Nemes, Inorganica Chimica Acta, 2018, 475, 112-119.
  • 3. Bridging a Knowledge Gap from Siloxanes to Germoxanes and Stannoxanes. A Theoretical Natural Bond Orbital Study
    Petronela M. Petrar, Ionut -Tudor Moraru, Gabriela Nemes, Journal of Physical Chemistry A, 2017, 121, 12, 2515-2552.
  • 4. Computational and experimental investigation of phosphaalkenyl germylenes from donor-acceptor perspective
    Petronela M. Petrar, Agota Bartok, Gabriela Nemes, Luminita Silaghi-Dumitrescu, Jean Escudié, Comptes Rendus de Chimie, 2013, 16, 153-158.
  • 5. One step away from phosphastannaalenes; experimental and in silico investigation on phosphastannapropenes
    Agota Lini, Petronela M. Petrar, Gabriela Nemes, Raluca Septelean, Luminita Silaghi-Dumitrescu, Henri Ranaivonjatovo, Revue Roumaine de Chimie, 2012, 57, 287-292.
  • 6. Designing bis(phosphaalkenyl)germylenes and their tungsten complexes – a theoretical study
    Tibor-Gábor Kocsor, Petronela M. Petrar, Gabriela Nemeş, Annie Castel, Jean Escudié, Noemi Deak, Luminita Silaghi-Dumitrescu, Computational Theoretical Chemistry, 2011, 974, 117-121.
  • 7. Theoretical investigation on the PCP(O) moiety: how to stabilize the diphosphaallenic derivatives
    Raluca A. Septelean, Petronela M. Petrar, Gabriela Nemes, Jean Escudié, Ioan Silaghi-Dumitrescu, Phosphorus, Sulfur, and Silicon, 2011, 186, 2321-2331.
  • 8. Theoretical study of structural patterns in CH2OP2 isomers
    Raluca Septelean, Petronela Maria Petrar, Gabriela Nemes, Jean Escudié, Ioan Silaghi-Dumitrescu, Journal of Molecular Modeling, 2011, 17, 1719-1725.
  • 9. An Insight into the Structure of Model Germaphosphaallenes
    Petronela M. Petrar, Gabriela Nemes, Ioan Silaghi-Dumitrescu, Jean Escudié, Henri Ranaivonjatovo, Molecular Physics, 2009, 107, 1161-1167.

Functionalized calixarenes and materials

Functionalized calixarenes and materials

  • 1. Functionalization of Mesoporous Silica Materials Using Calix[4]arenes
    Marius Olteanu, Raluca Septelean, Ovidiu Nemes, Delia Grec, Emese Gal, Dan Porumb, Gyorgy Deak, Andreea Baraitaru, Materiale Plastice, 2019, 56, 3, 554-558.
  • 2. Silica gel modified with functionalized calixarenes – preparation and characterization
    Raul Ranete, Petronela M. Petrar, Raluca Septelean, Ioana Perhaita, Gabriela Nemes, Studia UBB Chemia, 2015, 2(1), 15-26.
  • 3. Structurally original oxathioethers macrocycles containing an exocyclic double-bond:synthesis, characterization and coordination
    Guillaume Carel, Alina Saponar, Nathalie Saffon, Marc Vedrenne, Stéphane Massou, Gabriela Nemes, Ghassoub Rima, David Madec, Annie Castel, Tetrahedron, 2014, 70, 5650-5668.
  • 4. Functionalized oxathiacrown macrocycles: synthesis, characterization and coordination to palladium(II), ruthenium(II) and copper(I)
    Guillaume Carel, David Madec; Alina Saponar, Nathalie Saffon, Gabriela Nemes, Ghassoub Rima, Annie Castel, Journal of Organometallic Chemistry, 2014, 755, 72-77.
  • 5. Thermal behaviour of some ester derivatives of p-tert-butyl calix[n]arenes
    Alina Saponar, Elisabeth-Jeanne Popovici, Ioana Perhaita, Gabriela Nemes, Adrian-Ionut Cadis, Journal of Thermal Analysis and Calorimetry, 2012, 110, 349–356.
  • 6. Synthesis and properties of N,N-diethylacetamido derivatives of p-tert-butyl-calix[n]arene
    Alina Saponar, Elisabeth-Jeanne Popovici, Gabriela Nemes, Nicolae Popovici, Ioana Perhaita, Ioan Silaghi-Dumitrescu, Revista de Chimie, 2011, 62, 596-600.