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Volumn 46, Issue 26, 2007, Pages 4979-4982

Synthesis and characterization of tantalum(V) boronate clusters: Multifunctional Lewis acid cages for binding guests

Author keywords

Boronates; Cluster compounds; Host guest systems; Lewis acids; Tantalum

Indexed keywords

BORONATES; CLUSTER COMPOUNDS; HOST-GUEST SYSTEMS; LEWIS ACIDS;

EID: 34447320212     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200700801     Document Type: Article
Times cited : (29)

References (58)
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    • x resonances when the reaction was carried out under strictly anhydrous conditions. Complete experimental details can be found in the Supporting Information.
    • x resonances when the reaction was carried out under strictly anhydrous conditions. Complete experimental details can be found in the Supporting Information.
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    • Density functional calculations have been performed on complexes 1 and 2 without simplification of the ancillary ligands by using the Turbomole package (R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 1989, 162, 165-169).
    • Density functional calculations have been performed on complexes 1 and 2 without simplification of the ancillary ligands by using the Turbomole package (R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 1989, 162, 165-169).
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    • Gas-phase calculations were done with the TPSS metafunctional (J. Tao, J. P. Perdew, V. N. Staroverov, G. E. Scuseria, Phys. Rev. Lett. 2003, 91, 146401) and the SV(P) basis set of Turbomole, except for H, for which the TZ(P) basis set was applied.
    • Gas-phase calculations were done with the TPSS metafunctional (J. Tao, J. P. Perdew, V. N. Staroverov, G. E. Scuseria, Phys. Rev. Lett. 2003, 91, 146401) and the SV(P) basis set of Turbomole, except for H, for which the TZ(P) basis set was applied.
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    • Stuttgart effective core potentials were used to handle the core states on the Ta atom (D. Andrae, U. Häussermann, M. Dolg, H. Stoll, H. Preuss, Theor. Chim. Acta 1990, 77, 123-141). The position of the hydrogen atoms was explored by initiating geometry optimizations from 12 different starting structures with distinct bonding motifs. Complete details of the computations can be found in the Supporting Information.
    • Stuttgart effective core potentials were used to handle the core states on the Ta atom (D. Andrae, U. Häussermann, M. Dolg, H. Stoll, H. Preuss, Theor. Chim. Acta 1990, 77, 123-141). The position of the hydrogen atoms was explored by initiating geometry optimizations from 12 different starting structures with distinct bonding motifs. Complete details of the computations can be found in the Supporting Information.
  • 56
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    • Results obtained from Cambridge Crystallographic Database
    • Results obtained from Cambridge Crystallographic Database.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.