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[ CAS No. 10049-08-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Chemical Structure| 10049-08-8
Chemical Structure| 10049-08-8
Structure of 10049-08-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 10049-08-8 ]

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Product Citations

Product Citations

Kessinger, Matthew ; Soudackov, Alexander V. ; Schneider, Jenny , et al. DOI: PubMed ID:

Abstract: The reorganization energy (λ) for interfacial electron transfer (ET) and proton-coupled ET (PCET) from a conductive metal oxide (In2O3:Sn, ITO) to a surface-bound H2O oxidation catalyst was extracted from kinetic data measured as a function of the thermodn. driving force. Visible light excitation resulted in rapid excited-state injection (kinj > 108 s-1) to the ITO, which photo-initiated the two interfacial reactions of interest. The rate constants for both reactions increased with the driving force, -ΔG°, to a saturating limit, kmax, with rate constants consistently larger for ET than for PCET. Marcus-Gerischer anal. of the kinetic data provided the reorganization energy for interfacial PCET (0.90 ± 0.02 eV) and ET (0.40 ± 0.02 eV), resp. The magnitude of kmax for PCET decreases with pH, behavior that was absent for ET. Both the decrease in kmax and the larger reorganization energy for an unwanted competing PCET reaction from the ITO to the oxidized catalyst showcases a significant kinetic advantage for driving solar H2O oxidation at high pH. Computational anal. revealed a larger inner-sphere reorganization energy contribution for PCET than for ET arising from a more significant change in the Ru-O bond length for the PCET reaction. Extending the Marcus-Gerischer theory to PCET by including the excited electron-proton vibronic states and the proton donor-acceptor motion provided an apparent reorganization energy of 1.01 eV. The Marcus-Gerischer theory initially developed for ET can be reliably extended to PCET for quantifying and interpreting reorganization energies observed exptl.

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Product Details of [ 10049-08-8 ]

CAS No. :10049-08-8 MDL No. :MFCD00011208
Formula : Cl3Ru Boiling Point : No data available
Linear Structure Formula :- InChI Key :-
M.W : 207.43 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 10049-08-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 4
Num. arom. heavy atoms : 0
Fraction Csp3 : None
Num. rotatable bonds : 0
Num. H-bond acceptors : None
Num. H-bond donors : None
Molar Refractivity : 17.56
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : None
BBB permeant : None
P-gp substrate : None
CYP1A2 inhibitor : None
CYP2C19 inhibitor : None
CYP2C9 inhibitor : None
CYP2D6 inhibitor : None
CYP3A4 inhibitor : None
Log Kp (skin permeation) : None cm/s

Lipophilicity

Log Po/w (iLOGP) : None
Log Po/w (XLOGP3) : None
Log Po/w (WLOGP) : None
Log Po/w (MLOGP) : None
Log Po/w (SILICOS-IT) : None
Consensus Log Po/w : None

Druglikeness

Lipinski : None
Ghose : None
Veber : None
Egan : None
Muegge : None
Bioavailability Score : None

Water Solubility

Log S (ESOL) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (Ali) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (SILICOS-IT) : None
Solubility : None mg/ml ; None mol/l
Class : None

Medicinal Chemistry

PAINS : None alert
Brenk : None alert
Leadlikeness : None
Synthetic accessibility : None

Safety of [ 10049-08-8 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P264-P270-P273-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P391-P405-P501 UN#:3260
Hazard Statements:H302-H314-H411 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 10049-08-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 10049-08-8 ]

[ 10049-08-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 17217-57-1 ]
  • [ 10049-08-8 ]
  • [ 334700-79-7 ]
  • 2
  • [ 10049-08-8 ]
  • [ 148332-36-9 ]
  • [ 1220636-36-1 ]
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