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Volumn 46, Issue 17, 2007, Pages 3095-3098

Addition of terminal alkynes to a molecular titanium-zinc nitride

Author keywords

Alkynes; Density functional calculations; Nitrides; Titanium; Zinc

Indexed keywords

ACTIVATION ANALYSIS; DENSITY FUNCTIONAL THEORY; LIGANDS; MOLECULAR STRUCTURE; REACTION KINETICS; TITANIUM COMPOUNDS;

EID: 34250803876     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200604677     Document Type: Article
Times cited : (20)

References (40)
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    • 0034603091 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2000, 39, 534-537;
    • (2000) Chem. Int. Ed , vol.39 , pp. 534-537
    • Angew1
  • 20
    • 0034596859 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2000, 39, 3460-3463;
    • (2000) Chem. Int. Ed , vol.39 , pp. 3460-3463
    • Angew1
  • 24
    • 34250902089 scopus 로고    scopus 로고
    • Curiously, attempts to synthesize 5 at temperatures lower than 90°C gave mixtures of 2, 5, and 7.
    • Curiously, attempts to synthesize 5 at temperatures lower than 90°C gave mixtures of 2, 5, and 7.
  • 25
    • 34250874747 scopus 로고    scopus 로고
    • -3. CCDC-627182 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
    • -3. CCDC-627182 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
  • 36
    • 34250859734 scopus 로고    scopus 로고
    • DFT calculations were carried out with the ADF program by using a triple-ζ-quality basis set augmented with one set of polarization functions (TZP) for all the atoms. The 1s22s22p6 core electrons of Ti, Zn, and Si, and the 1s2 electrons of C and N, were treated by a frozen-core approximation. Scalar relativistic effects were taken into account using the zero-order regular approximation ZORA, See the Supporting Information for further details
    • 2 electrons of C and N, were treated by a frozen-core approximation. Scalar relativistic effects were taken into account using the zero-order regular approximation (ZORA). See the Supporting Information for further details.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.