Document Details

Document Type : Article In Journal 
Document Title :
Structure of the oxygen-rich cluster cation Al2O 7+ and its reactivity toward methane and water
Structure of the oxygen-rich cluster cation Al2O 7+ and its reactivity toward methane and water
 
Subject : Chemistry 
Document Language : English 
Abstract : The oxygen-rich cluster Al2O7+ is generated in the gas phase and investigated with respect to both its structure and its reactivity toward small, inert molecules using Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometry and DFT-based calculations. Al2O7+ reacts with CH4 under ambient conditions via hydrogen atom transfer (HAT), and with H2O a ligand exchange occurs which gives rise to the evaporation of two O2 molecules. The resulting product ion Al2O4H 2+ is also capable of abstracting a hydrogen atom from both H2O and CH4. As indicated in the H 2O/2O2 ligand exchange and supported by collision-induced dissociation (CID) experiments, two O2 units constitute structural elements of Al2O7+. Further insight is provided by DFT calculations, performed at the unrestricted B3LYP/TZVP level, and reaction mechanisms are suggested on the basis of both the experimental and theoretical results. 
ISSN : 0002-7863 
Journal Name : Journal of the American Chemical Society 
Volume : 133 
Issue Number : 42 
Publishing Year : 1432 AH
2011 AD 
Article Type : Article 
Added Date : Saturday, April 14, 2012 

Researchers

Researcher Name (Arabic)Researcher Name (English)Researcher TypeDr GradeEmail
Zhe-Chen WangWang, Zhe-Chen ResearcherDoctorate 
Thomas WeiskeWeiske, Thomas ResearcherDoctorate 
Robert KretschmerKretschmer, Robert ResearcherDoctorate 
Maria SchlangenSchlangen, Maria ResearcherDoctorateMaria.Schlangen@mail.chem.tu-berlin.de
Martin KauppKaupp, Martin ResearcherDoctorate 
Helmut Helmut SchwarzSchwarz, Helmut HelmutResearcherDoctoratehelmut.schwarz@mail.chem.tu-berlin.de

Files

File NameTypeDescription
 32815.pdf pdfAbstract

Back To Researches Page