Page 17 of 18
Physical Chemistry Chemical Physics
Please do not adjust margins
PCCP
PCCP
Research on Innovative Areas "3D Active-Site Science" (No.
A. Petersson, H. Nakatsuji, M. Caricato, DXO. LI:i,10H.1.0P3.9H/Cr8aCtcPh0i5a0n1,6AC.
F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M.
Ehar, 2009. Gaussian 09 Program Citation.
26105010 and 26015011) from MEXT, the Advanced Catalytic
Transformation Program for Carbon unitization (ACT-C) (Grant
No. JPMJCR12YU) of the Japan Science and Technology Agency
(JST), Japan, and Ministry of Science Technology and
Innovation (06-01-02-SF1001) and Ministry of Higher
Education (ERGS/1/2013/TK07/UKM/02/2), Malaysia.
13 A. D. Becke, Density-Functional Thermochemistry. III. The Role
of Exact Exchange. J. Chem. Phys. 1993, 98 (7), 5648.
14 C Lee, W. Yang, R. G. Parr, Development of the Colle-Salvetti
correlation-energy formula into a functional of the electron
density. Phys. Rev. B. 1988, 37 (2), 785–789.
15 C. Jamorski, M. E. Casida, D. R. Salahub, Dynamic polarizabilities
and excitation spectra from a molecular implementation of
time-dependent density-functional response theory: N2 as a
case study. J. Chem. Phys., 1996, 104 (13), 5134.
16 M. E. Casida, C. Jamorski, K. C. Casida, D, R. Salahub, Molecular
excitation energies to high-lying bound states from time-
dependent density-functional response theory: Characterization
and correction of the time-dependent local density
approximation Ionization threshold, J. Chem. Phys. 1998, 108
(11), 4439.
17 M. Cossi, G. Scalmani, N. Rega, V. Barone, New developments in
the polarizable continuum model for quantum mechanical and
classical calculations on molecules in solution. J. Chem. Phys.,
2002, 117 (1), 43–54.
References
1
D. Saha, S, Das, S. Mardanya, S. Baitalik, Structural
characterization and spectroelectrochemical, anion sensing and
solvent dependence photophysical studies of a bimetallic Ru(II)
complex
derived
from
1,3-di(1H-imidazo[4,5-
f][1,10]phenanthroline-2-yl)benzene. Dalton Trans. 2012, 41
(29), 8886–8898.
N. A. F. Al-Rawashdeh, S. Chatterjee, J. a. Krause, W. B.
Connick, Ruthenium bis-diimine complexes with a chelating
thioether ligand: Delineating 1,10-phenanthrolinyl and 2,2′-
bipyridyl ligand substituent effects. Inorg. Chem. 2014, 53 (1),
294–307.
J. G. Małecki, A. MaronÍ, J. Kusz, Phosphorescence of a
ruthenium(II) hydride-carbonyl complex with 3-Hydroxy-2-
quinoxalinecarboxylic acid as a co-Ligand. Mendeleev Commun.
2015, 25 (2), 103–105.
2
3
18 L. Skripnikov, Chemissian, A computer program to analyze and
visualize quantum-chemical calculations; For the current
version, S. Chemmisian.
19 B. P. Sullivan, D. J. Salmon, T. J. Meyer, Mixed phosphine 2,2’-
bipyridine complexes of ruthenium. Inorg. Chem. 1978, 17 (12),
3334–3341.
4
L. Tong, R. P. Thummel, Mononuclear Ruthenium Polypyridine
Complexes That Catalyze Water Oxidation. Chem. Sci. 2016, 7,
6591-6603.
20 R. Shardin, S. S. Tan, M. B. Kassim, Synthesis and structural
characterization of n-bromobenzoyl-n'-(1,10-phenanthrolin-t-
yl)thiourea derivatives. Mal. J. Analy. Sci., 2017, 21 (1), 60–71.
21 A. G. Orpen, L. Brammer, F. H. Allen, O. Kennard, D. G. Watson,
R. Taylor, Tables of bond lengths determined by X-Ray and
neutron diffraction. J. Chem. Soc. Dalt. Trans., 1987, S1–S83.
22 S. S. Tan, A. A. Al-abbasi, M. I. B. Tahir, M. B. Kassim, Synthesis,
structure and spectroscopic properties of cobalt(III) complexes
with 1-benzoyl-(3,3-disubstituted)thiourea. Polyhedron, 2014,
68, 287-294.
23 K. L. McCall, J. R. Jennings, H. Wang, A. Morandeira, L. M. Peter,
J. R. Durrant, L. J. Yellowlees, J. D. Woollins, N. Robertson, Novel
ruthenium bipyridyl dyes with S-donor ligands and their
application in dye-sensitized solar cells. J. Photochem.
Photobiol., A Chem., 2009, 202 (2–3), 196–204.
5
K. Ruffray, M. Autillo, X. Le Goff, J. Maynadié, D. Meyer,
Influence of the solvent, structure and substituents of
ruthenium(II) polypyridyl complexes on their electrochemical
and photo-physical properties. Inorg. Chim. Acta, 2016, 440,
26–37.
6
H. Deng, H. Xu, Y. Yang, H. Li, H. Zou, L. H. Qu, L. N. Ji, Synthesis,
characterization, DNA-binding and cleavage studies of
[Ru(bpy)2(actatp)]2+
and
[Ru(phen)2(actatp)]2+
(actatp=acenaphthereno[1,2-B]-1,4,8,9-tetraazariphenylence).
J. Inorg. Biochem., 2003, 97 (2), 207–214.
7
8
L. Mishra, A. K. Yadaw, Synthesis, spectroscopic,
electrochemical and luminescence studies of ruthenium (II)
polypyridyls containing multifunctionalized 1,2,4-triazole as co-
Ligand. J. Chem. Sci. 2000, 112 (4), 449–458.
Y. Tao, Z. J. Lin, X. M. Chen, X. L.; Huang, M. Oyama, X. Chen, X.
R. Wang, Functionalized multiwall carbon nanotubes combined
24 G. Kurt, F. Sevgi, B. Mercimek, Synthesis, characterization, and
antimicrobial activity of new benzoylthiourea ligands. Chem.
Pap. 2009, 63 (5), 548–553.
with
bis(2,2′-bipyridine)-5-amino-1,10-phenanthroline
ruthenium(II) as an electrochemiluminescence sensor. Sens.
Actuators, B. 2008, 129 (2), 758–763.
9
W. R. Heineman, Spectroelectrochemistry: The combination of
optical and electrochemical techniques. J. Chem. Educ., 1983,
60 (4), 305.
10 E. J. Viere, A. E. Kuhn, M. H. Roeder, N. A. Piro, W. S. Kassel, T. J.
Dudley, J. J. Paul, J. J. Spectroelectrochemical studies of a
ruthenium complex containing the pH sensitive 4,4′-dihydroxy-
2,2′-bipyridine ligand. Dalt. Trans., 2018, 47 (12), 4149–4161.
11 S. S. Tan, S. Yanagisawa, K. Inagaki, Y. Morikawa, M. B. Kassim,
M. B. Augmented pH-sensitivity absorbance of a ruthenium(II)
bis(bipyridine) complex with elongation of the conjugated
ligands: An experimental and theoretical Investigation. Phys.
Chem. Chem. Phys., 2017, 19, 25734–25745.
12 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A.
This journal is © The Royal Society of Chemistry 20xx
J. Name., 2013, 00, 1-3 | 17
Please do not adjust margins