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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

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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
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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

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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)3βˆ’x(L)x]2+ (x=0 to 3, L = 3,3β€²-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 = 2,2β€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
 
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