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Yu Gong - One of the best experts on this subject based on the ideXlab platform.
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reactions of laser ablated Aluminum atoms with cyanogen matrix infrared spectra and electronic structure calculations for Aluminum isocyanides al nc 1 2 3 and their novel dimers
Journal of Physical Chemistry A, 2018Co-Authors: Lester Andrews, Hangook Cho, Yu GongAbstract:Laser-ablated Al atoms react with (CN)2 in excess argon during condensation at 4 K to produce AlNC, Al(NC)2, and Al(NC)3, which were computed (B3LYP) to be 27, 16, and 28 kJ/mol lower in energy, respectively, than their cyanide counterparts. Irradiation at 220–580 nm increased absorptions for the above molecules and the very stable Al(NC)4– anion. Annealing to 30, 35, and 40 K allowed for diffusion and reaction of trapped species and produced new bands for the Al(NC)1,2,3 dimers including a rhombic ring core (C)(AlN)2(C) with C’s attached to the N’s, a (NC)2Al(II)–Al(II)(NC)2 dimer with a computed Al–Al length of 2.557 A, and the dibridged Al2(NC)6 molecule with a calculated D2h structure and rhombic ring core like Al2H6. In contrast, the Al(NC)4– anion was destroyed on annealing presumably due to neutralization by Al+. B3LYP calculations also show that Aluminum Chlorides form the analogous molecules and dimers. In our search for possible new products, we calculated Al(NC)4 and found it to be a stable mol...
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Reactions of Laser-Ablated Aluminum Atoms with Cyanogen: Matrix Infrared Spectra and Electronic Structure Calculations for Aluminum Isocyanides Al(NC)1,2,3 and Their Novel Dimers
2018Co-Authors: Lester Andrews, Hangook Cho, Yu GongAbstract:Laser-ablated Al atoms react with (CN)2 in excess argon during condensation at 4 K to produce AlNC, Al(NC)2, and Al(NC)3, which were computed (B3LYP) to be 27, 16, and 28 kJ/mol lower in energy, respectively, than their cyanide counterparts. Irradiation at 220–580 nm increased absorptions for the above molecules and the very stable Al(NC)4– anion. Annealing to 30, 35, and 40 K allowed for diffusion and reaction of trapped species and produced new bands for the Al(NC)1,2,3 dimers including a rhombic ring core (C)(AlN)2(C) with C’s attached to the N’s, a (NC)2Al(II)–Al(II)(NC)2 dimer with a computed Al–Al length of 2.557 Å, and the dibridged Al2(NC)6 molecule with a calculated D2h structure and rhombic ring core like Al2H6. In contrast, the Al(NC)4– anion was destroyed on annealing presumably due to neutralization by Al+. B3LYP calculations also show that Aluminum Chlorides form the analogous molecules and dimers. In our search for possible new products, we calculated Al(NC)4 and found it to be a stable molecule, but it was not detected here
Hangook Cho - One of the best experts on this subject based on the ideXlab platform.
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reactions of laser ablated Aluminum atoms with cyanogen matrix infrared spectra and electronic structure calculations for Aluminum isocyanides al nc 1 2 3 and their novel dimers
Journal of Physical Chemistry A, 2018Co-Authors: Lester Andrews, Hangook Cho, Yu GongAbstract:Laser-ablated Al atoms react with (CN)2 in excess argon during condensation at 4 K to produce AlNC, Al(NC)2, and Al(NC)3, which were computed (B3LYP) to be 27, 16, and 28 kJ/mol lower in energy, respectively, than their cyanide counterparts. Irradiation at 220–580 nm increased absorptions for the above molecules and the very stable Al(NC)4– anion. Annealing to 30, 35, and 40 K allowed for diffusion and reaction of trapped species and produced new bands for the Al(NC)1,2,3 dimers including a rhombic ring core (C)(AlN)2(C) with C’s attached to the N’s, a (NC)2Al(II)–Al(II)(NC)2 dimer with a computed Al–Al length of 2.557 A, and the dibridged Al2(NC)6 molecule with a calculated D2h structure and rhombic ring core like Al2H6. In contrast, the Al(NC)4– anion was destroyed on annealing presumably due to neutralization by Al+. B3LYP calculations also show that Aluminum Chlorides form the analogous molecules and dimers. In our search for possible new products, we calculated Al(NC)4 and found it to be a stable mol...
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Reactions of Laser-Ablated Aluminum Atoms with Cyanogen: Matrix Infrared Spectra and Electronic Structure Calculations for Aluminum Isocyanides Al(NC)1,2,3 and Their Novel Dimers
2018Co-Authors: Lester Andrews, Hangook Cho, Yu GongAbstract:Laser-ablated Al atoms react with (CN)2 in excess argon during condensation at 4 K to produce AlNC, Al(NC)2, and Al(NC)3, which were computed (B3LYP) to be 27, 16, and 28 kJ/mol lower in energy, respectively, than their cyanide counterparts. Irradiation at 220–580 nm increased absorptions for the above molecules and the very stable Al(NC)4– anion. Annealing to 30, 35, and 40 K allowed for diffusion and reaction of trapped species and produced new bands for the Al(NC)1,2,3 dimers including a rhombic ring core (C)(AlN)2(C) with C’s attached to the N’s, a (NC)2Al(II)–Al(II)(NC)2 dimer with a computed Al–Al length of 2.557 Å, and the dibridged Al2(NC)6 molecule with a calculated D2h structure and rhombic ring core like Al2H6. In contrast, the Al(NC)4– anion was destroyed on annealing presumably due to neutralization by Al+. B3LYP calculations also show that Aluminum Chlorides form the analogous molecules and dimers. In our search for possible new products, we calculated Al(NC)4 and found it to be a stable molecule, but it was not detected here
Lester Andrews - One of the best experts on this subject based on the ideXlab platform.
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reactions of laser ablated Aluminum atoms with cyanogen matrix infrared spectra and electronic structure calculations for Aluminum isocyanides al nc 1 2 3 and their novel dimers
Journal of Physical Chemistry A, 2018Co-Authors: Lester Andrews, Hangook Cho, Yu GongAbstract:Laser-ablated Al atoms react with (CN)2 in excess argon during condensation at 4 K to produce AlNC, Al(NC)2, and Al(NC)3, which were computed (B3LYP) to be 27, 16, and 28 kJ/mol lower in energy, respectively, than their cyanide counterparts. Irradiation at 220–580 nm increased absorptions for the above molecules and the very stable Al(NC)4– anion. Annealing to 30, 35, and 40 K allowed for diffusion and reaction of trapped species and produced new bands for the Al(NC)1,2,3 dimers including a rhombic ring core (C)(AlN)2(C) with C’s attached to the N’s, a (NC)2Al(II)–Al(II)(NC)2 dimer with a computed Al–Al length of 2.557 A, and the dibridged Al2(NC)6 molecule with a calculated D2h structure and rhombic ring core like Al2H6. In contrast, the Al(NC)4– anion was destroyed on annealing presumably due to neutralization by Al+. B3LYP calculations also show that Aluminum Chlorides form the analogous molecules and dimers. In our search for possible new products, we calculated Al(NC)4 and found it to be a stable mol...
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Reactions of Laser-Ablated Aluminum Atoms with Cyanogen: Matrix Infrared Spectra and Electronic Structure Calculations for Aluminum Isocyanides Al(NC)1,2,3 and Their Novel Dimers
2018Co-Authors: Lester Andrews, Hangook Cho, Yu GongAbstract:Laser-ablated Al atoms react with (CN)2 in excess argon during condensation at 4 K to produce AlNC, Al(NC)2, and Al(NC)3, which were computed (B3LYP) to be 27, 16, and 28 kJ/mol lower in energy, respectively, than their cyanide counterparts. Irradiation at 220–580 nm increased absorptions for the above molecules and the very stable Al(NC)4– anion. Annealing to 30, 35, and 40 K allowed for diffusion and reaction of trapped species and produced new bands for the Al(NC)1,2,3 dimers including a rhombic ring core (C)(AlN)2(C) with C’s attached to the N’s, a (NC)2Al(II)–Al(II)(NC)2 dimer with a computed Al–Al length of 2.557 Å, and the dibridged Al2(NC)6 molecule with a calculated D2h structure and rhombic ring core like Al2H6. In contrast, the Al(NC)4– anion was destroyed on annealing presumably due to neutralization by Al+. B3LYP calculations also show that Aluminum Chlorides form the analogous molecules and dimers. In our search for possible new products, we calculated Al(NC)4 and found it to be a stable molecule, but it was not detected here
Sergei V Kostjuk - One of the best experts on this subject based on the ideXlab platform.
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alkoxy Aluminum Chlorides in the cationic polymerization of isobutylene a co initiator carbocation stabilizer and chain transfer agent
Polymer Chemistry, 2019Co-Authors: Dmitriy I Shiman, Irina V Vasilenko, Sergei V KostjukAbstract:Alkoxy Aluminum Chlorides are efficient catalysts for the preparation of well-defined exo-olefin terminated PIBs of low (Mn ∼ 1000 g mol−1) to medium (Mn up to 50 000 g mol−1) molecular weight under mild experimental conditions (n-hexane as a solvent, [IB] = 5.8 M, temperature from −20 °C to 20 °C).
Liansheng Jiang - One of the best experts on this subject based on the ideXlab platform.
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synthesis characterization and butadiene polymerization of iron iii iron ii and cobalt ii Chlorides bearing 2 6 bis 2 benzimidazolyl pyridyl or 2 6 bis pyrazol pyridine ligand
Journal of Organometallic Chemistry, 2012Co-Authors: Dirong Gong, Xiaoyu Jia, Baolin Wang, Xuequan Zhang, Liansheng JiangAbstract:Iron(III), iron(II) and cobalt(II) complexes bearing neutral N,N,N-tridentate ligand (Fe(III)L1, 1a; Fe(III)L2, 1b; Fe(III)L3, 1c; Fe(III)L4, 2a; Fe(III)L5, 2b; Fe(III)L6, 2c; Fe(II)L1, 3a; Fe(II)L2, 3b; Fe(II)L3, 3c; Fe(II)L4, 4a; Fe(II)L5, 4b; Fe(II)L6, 4c; CoL1, 5a; CoL2, 5b; CoL3, 5c; CoL5, 6b and CoL6, 6c) have been synthesized from the metal Chlorides (FeCl3, FeCl2 center dot 4H(2)O or CoCl2) by treating the corresponding ligands (2,6-bis(benzimidazol-2-yl)pyridine, L1; 2,6-bis(1'-ethylbenzimidazol-2'-yl)pyridine, L2; 2,6-bis( 1'-benzylbenzimidazol-2'-yl) pyridine, L3; 2,6-bis(pyrazol) pyridine L4; 2,6-bis(3-methylpyrazol) pyridine, L5 or 2,6-bis(3,5-dimethylpyrazol) pyridine, L6. The complexes are characterized by FTIR and elemental analyses. The structures of complexes 1a, 1b, 3a, 3b, 3c, 4a, 5a, 5b, 5c and 6c are further confirmed by X-ray crystallographic analyses. Six coordination iron(III) (1a, 1b and 1c) and iron(II) (3c*DMF) complexes adopt a distorted octahedral configuration with the equatorial plane formed by the three nitrogen atoms and one chlorine atom, while the iron(II) (3a, 3b and 4a) and cobalt complexes (5a, 5b, 5c and 6c) adopt a trigonal bipyramidal configuration with the equatorial plane formed by the pyridyl nitrogen atoms and the two chlorine atoms. All complexes are evaluated as precursors for 1,3-butadiene polymerization in the presence of cocatalyst in toluene at room temperature. Iron(III) and iron(II) bearing the same ligand show comparable catalytic performance. The catalytic activity and selectivity are significantly influenced by the ligand structure, with the latter being tunable within a wide range from cis-1,4 to trans-1,4. Cobalt complexes, in combination with either MAO or Aluminum Chlorides shown high activity, and high cis-1,4-selectivity irrespective of the structure of ligand backbone. (C) 2012 Published by Elsevier B. V.