Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryMineral Visual ExplorerAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral QuizTime Machine
Photo SearchPhoto GalleriesSearch by ColorPhoto Colour ExplorerNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Alexander, Bruce D., Dines, Trevor J., Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes. Chemical Physics, 352. 19-27 doi:10.1016/j.chemphys.2008.05.010

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleDFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes
JournalChemical Physics
AuthorsAlexander, Bruce D.Author
Dines, Trevor J.Author
Longhurst, Rayne W.Author
Year2008 (September)Volume352
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2008.05.010Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5961739Long-form Identifiermindat:1:5:5961739:8
GUID0
Full ReferenceAlexander, Bruce D., Dines, Trevor J., Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes. Chemical Physics, 352. 19-27 doi:10.1016/j.chemphys.2008.05.010
Plain TextAlexander, Bruce D., Dines, Trevor J., Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes. Chemical Physics, 352. 19-27 doi:10.1016/j.chemphys.2008.05.010
In(n.d.) Chemical Physics Vol. 352. Elsevier BV

See Also

These are possibly similar items as determined by title/reference text matching only.

Alexander, Bruce D., Dines, Trevor J. (2004) Ab Initio Calculations of the Structures and Vibrational Spectra of Ethene Complexes. The Journal of Physical Chemistry A, 108 (1). 146-156 doi:10.1021/jp0357020
Motten, Ann G., Hanck, Kenneth, DeArmound, M.Keith (1981) ESR of the reduction products of [Fe(bpy)3]2+ and [Ru(bpy)3]2+. Chemical Physics Letters, 79. 541-546 doi:10.1016/0009-2614(81)85032-4
Compton, Ryan, Gerardi, Helen K., Weidinger, Daniel, Brown, Douglas J., Dressick, Walter J., Heilweil, Edwin J., Owrutsky, Jeffrey C. (2013) Spectra and relaxation dynamics of the pseudohalide (PS) vibrational bands for Ru(bpy)2(PS)2 complexes, PS=CN, NCS and N3. Chemical Physics, 422. 135-142 doi:10.1016/j.chemphys.2012.11.015
YOUNG, R. C., KEENE, F. R., MEYER, T. J. (1977) ChemInform Abstract: Measurement of Rates of Electron Transfer Between Ru(bpy)3(3+) and Fe(phen)3(2+) and Between Ru(phen)3(3+) and Ru(bpy)3(2+) by Differential Excitation Flash Photolysis. Chemischer Informationsdienst, 8 (27) doi:10.1002/chin.197727310
RIESEN, H. (1996) Intramolecular mini-excitons in the series [Os(bpy)3-x(bpy-d8)x]2+(x = 0-3) in [Zn(bpy)3](ClO4)2 and [Ru(bpy)3](ClO4)2 (bpy = 2,2'-bipyridine). Molecular Physics, 87. 1299-1316 doi:10.1080/00268979650026820
Ryall, John P., Dines, Trevor J., Chowdhry, Babur Z., Leharne, Stephen A., Withnall, Robert (2010) Vibrational spectra and structures of urazole and 4-methylurazole: DFT calculations of the normal modes in aqueous solution and in the solid state, and the influence of hydrogen bonding. Chemical Physics, 373. 219-227 doi:10.1016/j.chemphys.2010.05.014
Yersin, Hartmut, Braun, Dieter (1991) Isotope-induced shifts of electronic transitions: application to [Ru(bpy-h8)3]2+ and [Ru(bpy-d8)3]2+ in [Zn(bpy-h8)3](ClO4)2. Chemical Physics Letters, 179. 85-94 doi:10.1016/0009-2614(91)90296-l
Kausar, Nighat, Dines, Trevor J., Chowdhry, Babur Z., Alexander, Bruce D. (2009) Vibrational spectroscopy and DFT calculations of the di-amino acid peptide l-aspartyl-l-glutamic acid in the zwitterionic state. Physical Chemistry Chemical Physics, 11 (30). 6389pp. doi:10.1039/b903131f
Riesen, Hans, Wallace, Lynne, Krausz, Elmars (1995) Vibrational sidelines in the localized 3MLCT luminescence of [Ru(bpy)3−x(L)x]2+ (x=0 to 3, L = 3,3′-bipyridazine, bpy-d8) in the C2/c [Zn(bpy)3](ClO4)2 lattice. Chemical Physics, 198. 269-280 doi:10.1016/0301-0104(95)00190-y
Riesen, Hans, Krausz, Elmars (1996) Stark effects in the lowest-excited 3MLCT states of [Ru(bpy)(bpy-d8)2]2+ in [Zn(bpy)3](ClO4)2 (bpy = 2,2′-bipyridine). Chemical Physics Letters, 260. 130-135 doi:10.1016/0009-2614(96)00881-0
Riesen, H., Krausz, E. (1994) Orientational dependences of the Zeeman effect in the lowest-excited states of [Zn(bpy)3](ClO4)2:Ru(II) and [Ru(bpy)3](PF6)2. Chemical Physics Letters, 217. 613-618 doi:10.1016/0009-2614(93)e1420-l
 
and/or  
Mindat.org® is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization. Mindat® and mindat.org® are registered trademarks of the Hudson Institute of Mineralogy.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2026, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph and Ida Chau.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: June 6, 2026 08:45:39
Go to top of page