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Volumn 28, Issue 8, 2009, Pages 2535-2545

Synthesis of heterometallic trinuclear polyhydrido clusters containing ruthenium and osmium and their electronic and structural deviation from homometallic systems

Author keywords

[No Author keywords available]

Indexed keywords

ANALOGOUS COMPLEXES; CYCLOPENTADIENYL; DEHYDROGENATIVE COUPLING; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIHYDROGEN; DIRUTHENIUM; HETEROMETALLIC; HYDRIDO LIGAND; METAL ATOMS; METAL-METAL BONDS; MODEL COMPOUND; OPTIMIZED STRUCTURES; PROTONATED; SIMULTANEOUS EQUATIONS; STRUCTURAL DEVIATIONS; X-RAY STRUCTURAL STUDY;

EID: 65649145091     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om801222h     Document Type: Article
Times cited : (20)

References (49)
  • 3
    • 46649113067 scopus 로고    scopus 로고
    • Cotton, F. A., Wilkinson, G., Murillo, C. A., Bochmann, M., Eds.; John Wiley & Sons, Inc.: New York
    • (c) Siiss-fink, G.; Meister, G. In Advances in Organometallic Chemistry, Vol.35; Cotton, F. A., Wilkinson, G., Murillo, C. A., Bochmann, M., Eds.; John Wiley & Sons, Inc.: New York, 1999; pp 41 -134.
    • (1999) Advances in Organometallic Chemistry, Vol. , vol.35 , pp. 41-134
    • Süss-fink, G.1    Meister, G.2
  • 4
    • 0003172620 scopus 로고    scopus 로고
    • Cotton, F. A., Wilkinson, G., Murillo, C. A., Bochmann, M., Eds.; John Wiley & Sons, Inc.: New York
    • (d) Deeming, A. J. In Advances in Organometallic Chemistry, Vol.26; Cotton, F. A., Wilkinson, G., Murillo, C. A., Bochmann, M., Eds.; John Wiley & Sons, Inc.: New York, 1999; pp 1-96.
    • (1999) Advance in Organometallic Chemistry , vol.26 , pp. 1-96
    • Deeming, A.J.1
  • 5
    • 43249094202 scopus 로고    scopus 로고
    • Crabtree, R. H., Mingos, D J P., Eds.; Elsevier: Oxford, UK Chapter 6.06
    • (e) Hogarth, G. In Comprehensive Organometallic Chemistry III, Vol.6; Crabtree, R. H., Mingos, D J P., Eds.; Elsevier: Oxford, UK, 2007; Chapter 6.06.
    • (2007) Comprehensiv Organometallic Chemistry III , vol.6
    • Hogarth, G.1
  • 6
    • 65649117535 scopus 로고    scopus 로고
    • Crabtree, R. H., Mingos,D. J. P., Eds.; Elsevier: Oxford, UK Chapter 6.17
    • (f) Wilton- Ely, J. D. In Comprehensive Organometallic Chemistry III, Vol.6; Crabtree, R. H., Mingos, D. J. P., Eds.; Elsevier: Oxford, UK, 2007; Chapter 6.17.
    • (2007) Comprehensiv Organometallic Chemistry III , vol.6
    • Wilton- Ely, D.J.1
  • 33
    • 65649132526 scopus 로고    scopus 로고
    • The Gibbs free energy of the equilibrium reaction was estimated at-2.1 kcal mol-1 (at 298.15 K and 1 atm) using model compounds, where methyl groups of Cp*were replaced by hydrogen atoms; this supports the fact that
    • The Gibbs free energy of the equilibrium reaction was estimated at-2.1 kcal mol-1 (at 298.15 K and 1 atm) using model compounds, where methyl groups of Cp*were replaced by hydrogen atoms; this supports the fact that 4 was more basic than 3.
  • 37
    • 65649151579 scopus 로고    scopus 로고
    • note
    • Density functional theory (DFT) calculations were carried out at the B3PW91 level in conjunction with the Stuttgart/Dresden ECP19 and associated with triple-^ SDD basis sets for Ru and Os. For H and C, 6-311G(d,p) and 6-31G(d) basis sets, respectively, were employed. The Ru3 core in 1 was almost an equilateral triangle with sides of av 2.7497 A and contained three doubly bridging and two triply bridging hydrido ligands.2a To confirm that the above-mentioned basis sets were able to reproduce the geometries of the pentahydride, the geometry of (CpRu)3(u-H)2(u-H)3 (1a), whose factual structure was accurately characterized by X-ray diffraction studies, was optimized. The optimized geometry shown in Figure S1 corresponds well with crystal structures, and the average Ru- Ru distance of 1a is 2.7348 A; this average varies within 0.015 A between theory and experiments (details are provided in the Supporting Information). Therefore, we employed the basis sets and optimized the geometries of 3 and 4.
  • 41
    • 65649121360 scopus 로고    scopus 로고
    • The systems, 0.8x + 0.2y = 2.700 (1) and 0.4x + 0.6y = 2.747 (2), should be solved for 3', where d(Ru-(H)2-Os) = x and d(Os-H-Os) = y.
    • The systems, 0.8x + 0.2y = 2.700 (1) and 0.4x + 0.6y = 2.747 (2), should be solved for 3', where d(Ru-(H)2-Os) = x and d(Os-H-Os) = y.
  • 48
    • 0004207918 scopus 로고    scopus 로고
    • Automatic Data Acquisition and Processing Package for Imaging Plate Diffractometer; Rigaku Corporation: Tokyo Japan
    • PROCESS-AUTO, Automatic Data Acquisition and Processing Package for Imaging Plate Diffractometer; Rigaku Corporation: Tokyo Japan, 1998.
    • (1998) PROCESS-AUTO


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.