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Volumn 44, Issue 15, 2015, Pages 6784-6796

The titanium tris-anilide cation [Ti(N[tBu]Ar)3]+ stabilized as its perfluoro-tetra-phenylborate salt: Structural characterization and synthesis in connection with redox activity of 4,4′-bipyridine dititanium complexes

Author keywords

[No Author keywords available]

Indexed keywords

CARBONYL COMPOUNDS; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; IONS; METAL COMPLEXES; NEGATIVE IONS; POSITIVE IONS; REACTION INTERMEDIATES; REDOX REACTIONS; SINGLE CRYSTALS; SYNTHESIS (CHEMICAL); TITANIUM;

EID: 84926443814     PISSN: 14779226     EISSN: 14779234     Source Type: Journal    
DOI: 10.1039/c5dt00105f     Document Type: Article
Times cited : (17)

References (73)
  • 16
    • 13244269843 scopus 로고    scopus 로고
    • PLATON 55 was used to generate all ORTEP 61 diagrams in this work This Figure is based upon a model system that was geometry optimized using ADF 2006.01 62 using the LDA functional of Vosko, Wilk, and Nusair 63 together with the GGA functional known as OLYP 64 which is a combination of Handy and Cohen's OPTX functional 65 for exchange and Lee, Yang, and Parr's nonlocal correlation functional. 66 The zero-order regular approximation 67 (ZORA) was used for inclusion of relativistic effects. The basis sets were QZ4P for Ti and N, and TZ2P for C and H as supplied with ADF. Orbital contours were analyzed using the DGrid package 68 of Kohout
    • S. Kraft E. Hanuschek R. Beckhaus D. Haase W. Saak Chem.-Eur. J. 2005 11 969 978
    • (2005) Chem.-Eur. J. , vol.11 , pp. 969-978
    • Kraft, S.1    Hanuschek, E.2    Beckhaus, R.3    Haase, D.4    Saak, W.5
  • 33
    • 0004157499 scopus 로고
    • Clarendon Press, Oxford, New York, The calculations used the M06 functional 69 and the def2-TZVPP basis set of Alrichs 70 as implemented in ORCA 71 (Default-Basis-4)
    • R. F. W. Bader, Atoms in molecules: a quantum theory, Clarendon Press, Oxford, New York, 1990
    • (1990) Atoms in Molecules: A Quantum Theory
    • Bader, R.F.W.1
  • 38
    • 15044348102 scopus 로고    scopus 로고
    • 3 rather than a traditional valence of three due to equating "natural valence" to the total number of electron-pair bonds formed, rather than to the number of central-atom valence electrons used in bonding
    • E. D. Glendening J. K. Badenhoop F. Weinhold J. Comput. Chem. 1998 19 628 646
    • (1998) J. Comput. Chem. , vol.19 , pp. 628-646
    • Glendening, E.D.1    Badenhoop, J.K.2    Weinhold, F.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.