A density functional theory investigation on intramolecular hydrogen transfer of the [Os3(CO)11P(OMe)3(Ru(η5- C5H5))2] cluster

Bulletin of the Korean Chemical Society

Volumn 31, Issue 4, 2010, Pages 934-940

  Buntem, Radchada ^a   Punyain, Kraiwan ^b   Tantirungrotechai, Yuthana ^c   Raithby, Paul R ^d   Lewis, Jack ^e  

^a SILPAKORN UNIVERSITY   (Thailand)

^b NARESUAN UNIVERSITY   (Thailand)

^c NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY   (Thailand)

^d University of Bath   (United Kingdom)

^e UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

DFT; Intramolecular hydrogen transfer; Osmium carbonyl cluster

Indexed keywords

A-DENSITY; AXIAL POSITIONS; CARBONYL CLUSTERS; DENSITY-FUNCTIONAL METHODS; DFT; EXPERIMENTAL VALUES; INFRARED FREQUENCIES; INTRAMOLECULAR HYDROGEN TRANSFER; IONIC COUPLING; NMR CHEMICAL SHIFTS; REACTION ENERGY; SPECTROSCOPIC INFORMATION; STRUCTURAL CHANGE; TETRAHEDRAL CLUSTERS;

ACTIVATION ENERGY; CARBONYLATION; FORECASTING; HYDROGEN; OSMIUM; RUTHENIUM COMPOUNDS; SINGLE CRYSTALS; TRANSITION METALS;

DENSITY FUNCTIONAL THEORY;

EID: 77951959984     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2010.31.04.934     Document Type: Article

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