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Volumn 44, Issue 37, 2005, Pages 6022-6024

Intramolecular rotation through proton transfer: [Fe(η5- C5H4CO2-)2] versus [(η5-C5H4CO2-) Fe(η5-C5H4CO2H)]

Author keywords

Anions; Cyclopentadienyl ligands; Iron; Photoelectron spectroscopy; Protonation

Indexed keywords

CARBON; HYDROGEN BONDS; IRON COMPOUNDS; NEGATIVE IONS; OXYGEN; PHOTOELECTRON SPECTROSCOPY;

EID: 25144493288     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200501564     Document Type: Article
Times cited : (36)

References (34)
  • 5
    • 0034596923 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2000, 39, 3348-3391.
    • (2000) Angew. Chem. Int. Ed. , vol.39 , pp. 3348-3391
  • 30
    • 34250817103 scopus 로고
    • We optimized the structures of 1 and 2 at the density functional theory level using the B3LYP hybrid functional (A. D. Becke, J. Chem. Phys. 1993, 98, 1372;
    • (1993) J. Chem. Phys. , vol.98 , pp. 1372
    • Becke, A.D.1
  • 33
    • 24144451198 scopus 로고    scopus 로고
    • Pacific Northwest National Laboratory, Richland, Washington 99352, USA
    • Vibrational frequencies were calculated by numerical differentiation methods to confirm the ground states. All the calculations were performed using the NWChem. 4.6 program (High Performance Computational Chemistry Group, NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.6, Pacific Northwest National Laboratory, Richland, Washington 99352, USA. 2003) and the Molecular Science Computing Facility (MSCF) located at the Environmental Molecular Sciences Laboratory.
    • (2003) NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.