Document Detail


Photogeneration of metastable side-on N2 linkage isomers in [Ru(NH3)5N2]Cl2, [Ru(NH3)5N2]Br2 and [Os(NH3)5N2]Cl2.
MedLine Citation:
PMID:  18956087     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
Photogeneration of side-on N2 linkage isomers in [Ru(NH3)5N2]2+ and [Os(NH3)5N2]2+ is achieved by irradiation with lambda = 325 nm of powder samples at T = 80 K and detected by the downshift of the nu(N-N) vibration and by the heat release at elevated temperature due to the back switching of the side-on configuration to the ground state. The concentration of the transferred molecules is evaluated by the decrease of the area of the nu(N-N) or 2nu(N-N) vibrational bands. All characteristic changes between the linear Ru-N-N and side-on configuration are predicted by DFT calculations: the structure of the anion, shifts of the vibrations, electronic excitation energy, energetic position and sequence of the electronic orbitals, the potentials of the ground and relaxed metastable state with the activation energy, saddle points and energetic position of the minimum.
Authors:
Dominik Schaniel; Theo Woike; Bernard Delley; Colette Boskovic; Hans-Ueli Güdel
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't     Date:  2008-07-23
Journal Detail:
Title:  Physical chemistry chemical physics : PCCP     Volume:  10     ISSN:  1463-9076     ISO Abbreviation:  Phys Chem Chem Phys     Publication Date:  2008 Sep 
Date Detail:
Created Date:  2008-10-28     Completed Date:  2008-12-16     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  100888160     Medline TA:  Phys Chem Chem Phys     Country:  England    
Other Details:
Languages:  eng     Pagination:  5531-8     Citation Subset:  IM    
Affiliation:
I. Physikalisches Institut, Universität zu Köln, Zülpicherstrasse 77, 50937, Köln, Germany. dominik.schaniel@uni-koeln.de
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MeSH Terms
Descriptor/Qualifier:
Calorimetry, Differential Scanning
Computer Simulation
Isomerism
Ligands
Models, Chemical
Models, Molecular
Molecular Structure
Nitrogen / chemistry*
Osmium Compounds / chemistry*,  metabolism*
Photochemistry
Ruthenium Compounds / chemistry*,  radiation effects*
Spectrophotometry, Infrared
Spectrophotometry, Ultraviolet
Temperature
Ultraviolet Rays*
Vibration
Chemical
Reg. No./Substance:
0/Ligands; 0/Osmium Compounds; 0/Ruthenium Compounds; 0/pentaammine(dinitrogen)osmium(II); 0/pentaammine(dinitrogen)ruthenium(II); 7727-37-9/Nitrogen

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


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