Beiträge zur Chemie der Halogensilan‐Addukte, XI. Bis(1,10‐phenanthrolin)‐Komplexe des Siliciums. Darstellung, Struktur und Eigenschaften

Kummer, D.; Seshadri, T.

doi:10.1002/cber.19771100631

Cited by 20 publications

(8 citation statements)

References 11 publications

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“…It should be noted that our observed UV-Vis spectrum of [Si(phen) 2 (OMe) 2 ] I 2 in CH 3 OH is the same as the one reported by Kummer et al [8]. As one can see in Table V ϩ2 theory predicts a band at 557 nm which corresponds to a charge transfer band (CTB) from I to phenathroline ligand molecule according to analysis of molecular orbitals participating in this transition (Fig.…”

Section: Structure and Uv-vissupporting

confidence: 76%

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Study of spectral properties of bis(1,10‐phenanthroline) silicon hexacoordinated complexes by density functional theory

Irgibaeva

Aldongarov

Barashkov

et al. 2008

Int J of Quantum Chemistry

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ABSTRACT:Applying ab initio method the structures and UV-vis spectra of silicon hexacoordinated compound [Si(phen) 2 (OMe) 2 ]I 2 and it's nitrate [Si(phen) 2 (OMe) 2 ](NO 3 ) 2 were calculated. On the ground of comparison of theoretical and experimental data ( 1 H NMR and electronic absorption spectra) it was shown that the theoretical method B3LYP/LanL2DZ we have used describes bis(1,10-phenanthroline) silicon complexes reasonably well. On the basis of TDDFT calculations at B3LYP/LanL2DZ level it is predicted that [Si(phen) 2 (OMe) 2 ]I 2 compound has charge transfer band in UV-vis spectrum at 557 nm which is associated with electron transfer from I Ϫ to phen ligand while [Si(phen) 2 (OMe) 2 ](NO 3 ) 2 doesn't have one. The absence of this band in the observed spectrum of the [Si(phen) 2 (OMe) 2 ]I 2 complex methanol solution (10 Ϫ5 M) is explained by the dissociation of the complex into ions [Si(phen) 2 (OMe) 2 ] 2ϩ and 2I Ϫ . We assume that this charge transfer band corresponds to peak at 400 nm in UV-vis spectrum of [Si(phen) 2 (OMe) 2 ]I 2 thin film. The missing of such bands in UV-vis spectrum of nitrate [Si(phen) 2 (OMe) 2 ](NO 3 ) 2 film is explained by n 3 p* nature of these transitions. Significant error in prediction of charge transfer band energy is due to failure of TDDFT method to yield underestimated charge transfer electronic energies.

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Section: Structure and Uv-vissupporting

confidence: 76%

“…2 The structures of all calculated hexacoordinate compounds had cis-octahedral conformation with C 2 symmetry [8,15]. Figure 1 [15].…”

Section: Calculation Methodsmentioning

confidence: 98%

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Study of spectral properties of bis(1,10‐phenanthroline) silicon hexacoordinated complexes by density functional theory

Irgibaeva

Aldongarov

Barashkov

et al. 2008

Int J of Quantum Chemistry

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“…The general approach to bis-bipyridine or bis-phenanthroline hexacoordinate silicon complexes is is generated by the reaction of SiI4 with bipyridine or phenanthroline in dichloromethane or chloroform. [36,37] Even with excess ligand, the reaction does not proceed beyond bis-substitution.…”

Section: Complexes With Two Bipyridine or Phenanthroline Ligandsmentioning

confidence: 99%

Recent advances in hexacoordinate silicon with pyridine-containing ligands: Chemistry and emerging applications

Peloquin

Schmedake

2016

Coordination Chemistry Reviews

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, +1(704)687-5177 1. Introduction 2. Pyridine-type ligands 2.1 Complexes with pyridine 2.2 Complexes with pyridine-2-thiolate 3. Quinolate-type ligands 3.1 Complexes with oxyquinolate 3.2 Complexes with thioquinolate 3.3 Complexes with (2-N-(quinoline-8-yl)iminomethylphenolate) 4. Polypyridine-type ligands 4.1 Complexes with just one bipyridine or phenanthroline ligand 4.2 Complexes with two bipyridine or phenanthroline ligands 4.3 Complexes with three bipyridine or phenanthroline ligands 5. Conclusion and Future Outlook

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“…Besides unique chemical features, 1 developments relating to new structural varieties of these silicates have also come to light. 2−5 Cationic complexes were known for a long time, 6 although the authors have demonstrated their use as precursors to hexacoordinate bicyclic silicate dianions. 7 The authors have reported earlier penta and hexacoordinate silicate anions with SiO 4 N and SiO 4 N 2 skeletons, respectively, where silicon-nitrogen linkage was derived from acyclic substituent(s).…”

Section: Introductionmentioning

confidence: 99%

Discrete Spirobicyclic Silicate Anions with SiO₂N₂C, SiN₂S₂C and SiO₄C Frameworks

Narula

Puri

Garg

et al. 2007

Phosphorus, Sulfur, and Silicon and the Related Elements

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Bis(2-aminobenzoato)phenylsilicate (1), bis(2-aminothiophenoxy)phenylsilicate (2), and bis(2-hydroxybenzoato) phenylsilicate (3) anions were obtained as their triethylammonium salts from the reactions of phenylsilane with appropriate ligands in the presence of triethylamine. The compounds were characterized by IR, multinuclear ( 1 H, 13 C, and 29 Si) NMR, and FAB mass spectral data. Th X-ray crystal structure of 1.CH 2 Cl 2 revealed slightly distorted trigonal bipyramidal geometry around silicon. The spirobicyclic silicate anions are the first examples with silicon-heteroatom linkages having six-membered (1) and five-membered (2) rings on silicon.

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Beiträge zur Chemie der Halogensilan‐Addukte, XI. Bis(1,10‐phenanthrolin)‐Komplexe des Siliciums. Darstellung, Struktur und Eigenschaften

Cited by 20 publications

References 11 publications

Study of spectral properties of bis(1,10‐phenanthroline) silicon hexacoordinated complexes by density functional theory

Study of spectral properties of bis(1,10‐phenanthroline) silicon hexacoordinated complexes by density functional theory

Recent advances in hexacoordinate silicon with pyridine-containing ligands: Chemistry and emerging applications

Discrete Spirobicyclic Silicate Anions with SiO₂N₂C, SiN₂S₂C and SiO₄C Frameworks

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Beiträge zur Chemie der Halogensilan‐Addukte, XI. Bis(1,10‐phenanthrolin)‐Komplexe des Siliciums. Darstellung, Struktur und Eigenschaften

Cited by 20 publications

References 11 publications

Study of spectral properties of bis(1,10‐phenanthroline) silicon hexacoordinated complexes by density functional theory

Study of spectral properties of bis(1,10‐phenanthroline) silicon hexacoordinated complexes by density functional theory

Recent advances in hexacoordinate silicon with pyridine-containing ligands: Chemistry and emerging applications

Discrete Spirobicyclic Silicate Anions with SiO2N2C, SiN2S2C and SiO4C Frameworks

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Discrete Spirobicyclic Silicate Anions with SiO₂N₂C, SiN₂S₂C and SiO₄C Frameworks