WoS İndeksli Yayınlar Koleksiyonu
Permanent URI for this collectionhttps://hdl.handle.net/20.500.12573/394
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Article Citation - WoS: 1Citation - Scopus: 1Highly Efficient Chlorinated Solvent Uptake by Novel Covalent Organic Networks via Thiol-Ene Chemistry(Springer, 2021-07-03) Yavuz, Mustafa Selman; Citir, MuratIn this study, we synthesized an aliphatic-aromatic regular network as a novel covalent organic networks called TEPN-1 (Thiol-ene Polymer Network) and TEPN-2 via thiol-ene chemistry. TEPN-1 and TEPN-2 were analyzed by FTIR, C-13-NMR, Brunauer-Emmett-Teller, thermogravimetric analysis and elemental analysis. Solvent uptake capacity of TEPN-1 and TEPN-2 was employed against 26 solvents which are frequently used in chemical industry. It is found that TEPN-1 has the highest swelling adsorption ratio with chloroform and DCM (13.7 and 11.5 g.g(-1), respectively), while TEPN-2 has 9.2 and 7.5 g.g(-1), respectively. Both TEPN-1 and TEPN-2 have very minimal water uptake (0.165 and 0.189 g.g(-1), respectively). TEPN-1 and TEPN-2 are efficient adsorbents for most of organic solvents including water-miscible organic solvents such as THF, dioxane and pyridine.Article Citation - WoS: 55Citation - Scopus: 57Bond Energies of ThO+ and ThC+: A Guided Ion Beam and Quantum Chemical Investigation of the Reactions of Thorium Cation With O2 and CO(AIP Publishing, 2016-05-13) Cox, Richard M.; Citir, Murat; Armentrout, P. B.; Battey, Samuel R.; Peterson, Kirk A.Kinetic energy dependent reactions of Th+ with O-2 and CO are studied using a guided ion beam tandem mass spectrometer. The formation of ThO+ in the reaction of Th+ with O-2 is observed to be exothermic and barrierless with a reaction efficiency at low energies of k/k(LGS) = 1.21 +/- 0.24 similar to the efficiency observed in ion cyclotron resonance experiments. Formation of ThO+ and ThC+ in the reaction of Th+ with CO is endothermic in both cases. The kinetic energy dependent cross sections for formation of these product ions were evaluated to determine 0 K bond dissociation energies (BDEs) of D-0(Th+-O) = 8.57 +/- 0.14 eV and D-0(Th+-C) = 4.82 +/- 0.29 eV. The present value of D-0(Th+-O) is within experimental uncertainty of previously reported experimental values, whereas this is the first report of D-0(Th+-C). Both BDEs are observed to be larger than those of their transition metal congeners, TiL+, ZrL+, and HfL+ (L = O and C), believed to be a result of lanthanide contraction. Additionally, the reactions were explored by quantum chemical calculations, including a full Feller-Peterson-Dixon composite approach with correlation contributions up to coupled-cluster singles and doubles with iterative triples and quadruples (CCSDTQ) for ThC, ThC+, ThO, and ThO+, as well as more approximate CCSD with perturbative (triples) [CCSD(T)] calculations where a semi-empirical model was used to estimate spin-orbit energy contributions. Finally, the ThO+ BDE is compared to other actinide (An) oxide cation BDEs and a simple model utilizing An(+) promotion energies to the reactive state is used to estimate AnO(+) and AnC(+) BDEs. For AnO(+), this model yields predictions that are typically within experimental uncertainty and performs better than density functional theory calculations presented previously. Published by AIP Publishing.