Three-dimensional nonlinear optical chromophores based on metal-to-ligand charge-transfer from ruthenium(II) or iron(II) centers

Journal of the American Chemical Society

Volumn 127, Issue 38, 2005, Pages 13399-13410

  Coe, Benjamin J ^a   Harris, James A ^a,b   Brunschwig, Bruce S ^b   Asselberghs, Inge ^c   Clays, Koen ^c   Garín, Javier ^d   Orduna, Jesús ^d  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^c UNIVERSITY OF LEUVEN   (Belgium)

^d CSIC   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; CHARGE TRANSFER; ELECTRONIC STRUCTURE; IRON; NONLINEAR OPTICS; PROBABILITY DENSITY FUNCTION; RAYLEIGH SCATTERING; RUTHENIUM; SALTS;

DIPOLAR EXCITED STATE; ELECTRONIC ABSORPTION SPECTROSCOPY; THREE-DIMENSIONAL NONLINEAR OPTICAL CHROMOPHORES;

CHROMOPHORES;

IRON; LIGAND; METAL; N METHYL 2,2':4,4'':4',4''' QUATERPYRIDINIUM DERIVATIVE; PYRIDINIUM DERIVATIVE; RUTHENIUM; UNCLASSIFIED DRUG;

ABSORPTION SPECTROSCOPY; ARTICLE; CHROMATOPHORE; COMPLEX FORMATION; CYCLIC POTENTIOMETRY; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ELECTRONIC ABSORPTION SPECTROSCOPY; FINITE ELEMENT ANALYSIS; MATHEMATICAL COMPUTING; METAL BINDING; MOLECULAR MODEL; NONLINEAR SYSTEM; OPTICS; STRUCTURE ANALYSIS; SURFACE CHARGE; THREE DIMENSIONAL IMAGING; TIME;

IRON; LIGANDS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; OPTICAL ROTATORY DISPERSION; ORGANOMETALLIC COMPOUNDS; RUTHENIUM; STEREOISOMERISM;

EID: 25644444466     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja053879x     Document Type: Article

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102. Note, however, that there is potential for some confusion over terminology here. The term "dipolar contributions" is applied in ref 2m to cone-shaped molecules that display a nonzero ground-state dipole moment due to their lack of planarity. In contrast, the molecules we report have no ground-state dipole moment, and thus the precise meaning of "dipolar contributions" in this context differs from that used by Claessens et al. Because the β responses in 1 and 5 are associated with dipole moment changes on passing from ground to excited states, their origins are thus analogous to those in molecules having a dipolar ground state.
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