Structural and energetical characterization of the methylbutadien- Fe(CO)3 isomers and related reactive intermediates with quantum chemical methods

European Journal of Inorganic Chemistry

Volumn , Issue 11, 1999, Pages 1869-1880

  Pfletschinger, Anja ^a   Schmalz, Hans Günther ^a   Koch, Wolfram ^a,b  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

^b Gesellschaft Deutscher Chemiker   (Germany)

Author keywords

1,3 Diene Fe(CO)3; Conformational analysis; Density functional calculations; Iron; Organometallic chemistry; Reactive intermediates

Indexed keywords

ATOMS; DENSITY FUNCTIONAL THEORY; IRON COMPOUNDS; ISOMERIZATION; ISOMERS; ORGANOMETALLICS; QUANTUM CHEMISTRY; REACTION INTERMEDIATES;

1,3-DIENE-FE(CO)3; CATIONICS; CONFORMATIONAL ANALYSIS; DENSITY-FUNCTIONAL CALCULATIONS; HYBRID FUNCTIONAL; ORGANOMETALLIC CHEMISTRY; PENTADIENE; QUANTUM-CHEMICAL METHODS; REACTIVE INTERMEDIATE; THEORETICAL INVESTIGATIONS;

IRON;

1,3 BUTADIENE DERIVATIVE; IRON COMPLEX;

ARTICLE; COMPLEX FORMATION; ISOMERISM; QUANTUM CHEMISTRY; REACTION ANALYSIS; SYNTHESIS;

EID: 0032704938     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1099-0682(199911)1999:11<1869::aid-ejic1869>3.0.co;2-2     Document Type: Article

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