Synthesis, Characterizations, Crystal Structure, Density Functional Theory and TD DFT Studies of One New Dichloro-Bis (Pyridine-N) - CuII, C20H20Cl4Cu2N4 Complex

Imperial Journal of Interdisciplinary Research (IJIR)
Vol-2, Issue-3 , 2016

ISSN : 2454-1362 , http://www.onlinejournal.in
Synthesis, Characterizations, Crystal

Structure, Density Functional theory and TD
DFT Studies of one new dichloro-bis(pyridineN)-CuII, C20H20Cl4Cu2N4 complex.
Dhrubajyoti Majumdar
Assistant Professor
Department of Chemistry, Tamralipta mahavidyalaya, Tamluk,
Purbamedinipur, W.B., India, 721636.
Abstract :
A new novel tetracoordinated
mononuclear copper (II) complex [CuII(py)2Cl2] (1)
with pyridine as coligand has been synthesized and
characterized by elemental analysis (carbon,
hydrogen and nitrogen),1H NMR, FT-IR and UVVis spectroscopic techniques. The copper (II)
complex structure was unambiguously confirmed
by single crystal XRD. The complex crystallizes in
monoclinic system, space group P 21 /n, with the
values a = 3.8742(7), b = 8.6325(17), and c =
17.096(3) ; = 90.00 , = 91.974 , and =
90.00 ; V = 571.42(18) 3 and Z = 1. The titled
Copper(II) complex is purely mononuclear in
nature where Cu(II) ion is coordinated with two N
atoms of two pyridine ligands and two chloride
ions(Cl-) and displays completely square planar
geometry. The crystal packing is stabilized by
intermolecular hydrogen bonding. The geometry of
Cu(II) complex was optimized in the singlet ground
states by DFT calculation ( using B3LYP
functional). Electronic spectra of respective
complex(1) was explained in a lucid manner using
TDDFT calculation.
Key words: Cu(II) complex, DFT and TDDFT.
1.
INTRODUCTION
Aromatic nitrogen heterocycles are important class

of ligands in the field of synthetic coordination
chemistry. Pyridine, Pyrazine, Bipyridine or its
analogous ligands like phenantroline, methyl or
ethyl substituted phenantroline are widely used in
synthetic coordination chemistry to prepare vast
number of metal complexes for their potential
applications in photochromic compounds [1],
catalytic role like hydrogenation of olefins [2],
analytical chemistry, biological application[3-8]]
and also in the mimic chemistry after substitution
of suitable side chain in the nitrogen heterocycles.
All heterocyle ligands have extended cloud that
takes part interaction with suitable metal ions like
Cu(II) which mimic various biological system and

hence their study have gained emerging
importance. These ligands due to their chelating
nature in coordinated complexes effectively control
the aggregation behavior by chelating around
central metal ion. In this regard pyridine or its
substituted analogous nitrogen donor ligands have
been extensively used in the field of coordination
chemistry. The coordination chemistry of
copper(II) has been connected to diverse fields like
industry and medicinal biochemistry. Aromatic
nitrogen heterocycles form very well known lewis
acid base adducts with copper(II) ion via molecular
chelating association [9-10]] and thus copper(II)
complexes increase their coordination number and
this sometimes puzzling variation in complexes
structural formats [11]. Coordination geometry of
Cu(II) depends on ligand used, coligands and also
the counterions nature [12]. Hence we made an
attempt to study the structural variation of
reference Cu(II) complex. In the present research
work, we report complex(1) synthetic details,
spectroscopic
analysis,
crystal
structure
determination by using single crystal XRD. The
experimental structure of complex (1) was
compared with the theoretical calculation results at
different levels of DFT and basis sets.
2. EXPERIMENTAL
2.1 Materials
All the reagents are analytical grade and were
procured from commercial sources and were
used without further purification. CuCl2.2H2O
was purchased from S.D. fine chemicals,
Mumbai (India), and pyridine from (E. Marck,
India). Methanol solvent purified and dried
according to standard procedures.
2.2 Physical measurement
Elemental analysis (carbon, hydrogen and
nitrogen) of Cu(II) complex was determined
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Vol-2, Issue-3 , 2016
with a Perkin-Elmer CHN analyzer 2400. IR
spectra (KBr pellet, 400-4000 cm-1) also
recorded on a Perkin-Elmer model 883
infrared spectrophotometer. A UV-Vis
spectrum of the complex was recorded in the
region of 200-800 nm using a Hitachi U-2800
spectrophotometer in CH3OH. 1H NMR
spectra of complex was recorded in deuterated
DMSO using a varian XL-600 NMR
spectrometer with TMS as internal standard.
frequency calculations were performed to ensure

that the optimized geometries represent local
minima associated with positive Eigen values only.
Vertical electronic excitations based on B3LYP
were obtained with the time-dependent density
functional theory (TD-DFT) formalismin methanol
using the conductor-like polarizable continuum
model (CPCM). GaussSum was used to calculate
the fractional contributions of various groups to
each molecular orbital.
2.3 Synthesis of complex(1)

25mL cold methanolic solution of CuCl2.2H2O
(1mmol, 0.1704g) was added to 10mL methanolic
solution of pyridine (1mmol, 0.079g).The resultant
deep blue solution was continuously stirred for 2h
at room temperature(298K) when blue ppt.
appeared immediately. The blue solution was
filtered, filtrate was refluxed for 15 minutes and
was kept at room temperature when after six days
blue crystal obtained by slow evaporation of the
mother liquor suitable for single crystal X-ray
diffraction. Yield, (80%)
Anal. Calc. for
C20H20Cl4Cu2N4: C, 41.04; H, 3.44; N, 9.57 Found:
C, 41.00; H, 3.43; N, 9.56 % IR (KBr, max/cm-1):
1652cm-1 and 548cm-1 . UV-vis (CH3OH): max/nm:
205 nm, 257.5 nm and 287 nm.
3.
Single crystal X-ray crystallography:
For titled complex(1), the data collections were

made using a CCD area detector equipped with a
graphite monochromated Mo-K radiation (k
=0.7107 ) source in the u and x scan mode at
293(24) K. The structures of complex was solved
by using the SHELXS-97[13] package of programs
and refined by the full-matrix least square method
based on F2 in SHELXL-97. The structure was
solved by conventional direct methods and refined
by full-matrix least square methods using F2 data.
All the nonhydrogen atoms were refined
anisotropically. Hydrogen atoms were placed in
calculated positions.
4.
Theory and Computational methods
All computations were performed using the

Gaussian 09 (G09) [14] software package by using
the Beckes three-parameter hybrid exchange
functional and the Lee-Yang-Parr non-local
correlation functional (B3LYP) [15 ]. In the
calculation the 6-31G (d-p) basis set was assigned
to all elements with the exception of copper, for
which the Los Alamos effective core potentials
plus the Double Zeta (LanL2DZ) basis set were
employed. The geometric structure of the
complex(1) in the ground state (doublet) was fully
optimized at the B3LYP level. The vibration
5.
Results and Discussion
5.1
Synthesis
Complex(1) was obtained after mixing CuCl2.2H2O

(1mmol, 0.1704g) with (1mmol,0.079g) pyridine at
1:1 molar ratio taken in CH3OH solvent medium.
X-ray quality blue crystal obtained after slow
evaporation of the reaction mixture.
5.2
Structural description of complex(1)
Complex(1) crystal metrical parameters shown in

Table1.
The selected bond lengths and bond angles of the
synthesized Cu(II) complex are listed in Table
2.Complex(1) crystallizes in monoclinic system,
with space group C 21/n. Synthesized complex
crystallizes with two chloride ions(Cl-1) , two N
atoms of pyridine ligands. Z value 1 suggested that
only one Cu(II) comprises covalently with two Cl-1
ions and two N atoms of pyridine ligand in the
square basal plane.
The square basal plane
occupied by two N1-Cu1 bonds, two Cl1-Cu1 with
the bond distances 2.037, 2.318 respectively.
Using the bond angles N1-Cu1-N1(180) ,Cl1-Cu1Cl1(180), the sum of the bond angles around
Cu(II) is calculated as 360.This confirms the
presence of Cu(II) ion with very slight deviation
from the square basal plane. The square basal plane
occupy two N atoms of pyridine section and two
Cl-1 ions. They are positively trans position. The
titled complex(1) is a unique square planar
complex in terms of crystal system, space group
and unit cell parameters. The experimental bond
distances are similar to the literature Cu (II) square
planar complexes Table 3[16-21]. Crystal structure
absence of broad band in the region 3100-3500cm-1
reflects positively absence of trapping of water
molecules. This observation is consistent with the
crystal structure. The crystal packing mainly
stabilized by intermolecular hydrogen bonding .
5.3 IR, 1H NMR and UV-vis Characterization
of the complex(1).
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Vol-2, Issue-3 , 2016
Copper(II) complex was characterized by FT-IR
and UV-VIS spectroscopy and elemental
analysis(CHN). In addition 1H NMR spectroscopy
was used to further characterization of complex(1)
(Supporting information 1). The 1H NMR
spectrum finely confirmed
the complex
structure(1).The FT-IR spectra of the Cu(II)
complex shows C=N stretching frequency of
pyridine appears near to 1652 cm-1. The Cu-N
linkage of Cu(II) complex confirmed by weak
bands at 548cm-1 (Supporting information 2).
6.
DFT and TD DFT analysis
DFT and TDDFT computations of optimized

structure of complex (1) was performed in order to
establish its electronics structure and spectral
transitions. The geometric structures of the isolated
complexes were fully optimized at the Beckes
three- parameter hybrid exchange functional and
the Lee-Yang-Parr non-local correlation functional
(B3LYP) level in the ground state. The optimized
structures are depicted in fig. 2a. The energy and
composition of selected MOS (Fig.2b and 2c ) of
complex(1) are summarized in Table 6. The
HOMO of and spin as well as LUMO of spin
are concentrated on coordinated ligand for
complex(1). For comparison ,the geometrical
parameters of complex(1) was investigated by
means of density functional theory (DFT)
calculations at the B3LYP level using 6-31G(d-p),
LanL2DZ basis sets and results were compared
with the experimental data Table 4. According to
this Table, the agreement between the most
geometrical parameters calculated at the different
DFT levels and the experimental data are good
agreement, suggesting that the DFT/B3LYP
method and the basis sets used in the calculation
are reasonable. The calculated Mullikan charges on
the copper atom in complex(1) (Cu1=0.254) is
considerably lower than the formal charges of +2,
confirming a significant charge donation from the
ligands. The calculated Mullikan charges for N1
and N2 of Pyridine effective donor center -0.254
are less than -1. All these results indicate electron
transfer occurs from the donor atoms to the central
copper atom. TDDFT calculations have been
performed to get deep insight into the electronic
transitions of complex(1).The calculated vertical
electronic transitions are summarized in Table 5.
For complex(1) transitions at 257.5 nm and 287 nm
corresponds to L1LCT and LMCT. Transitions at
259.54 nm, 264.35 nm due to both L1LCT and
288.74 nm corresponds to LMCT.
7.
Conclusion
We have successfully synthesized the titled

complex(1) and characterized by IR, UV-Vis ,1H
NMR spectroscopic study .The molecular and
crystal structure were determined by single crystal
X-ray diffraction and calculated at the DFT levels.
The best agreement between theoretical and
experimental results were obtained by using
B3LYP level with 6-31G(d-p) and LanL2DZ basis
sets.
8.
Acknowledgement
DJM thanks Department of chemistry, Tamralipta

Mahavidyalaya, Tamluk, Purba Medinipur, for
giving the laboratory facilities.
9.
Supplementary data
CCDC 1429679 contain the supplementary

crystallographic data for title complex(1). The data
can be obtained free of charge via
http://www.ccdc.cam.ac.uk/ conts/retrieving.html,
or from the Cambridge Crystallographic Data
Centre, 12 Union Road, Cambridge CB2 1EZ, UK;
fax:
(+44)
1223-336-033;
or
e-mail:
deposit@ccdc.cam.ac.uk.
10. References
[1] Liu W. L., Zou Y., Li. Y., Yao G.Y., and Meng
Q.J., 2004. Polyhedron 23: 849-855.
[2] Zhao J., Zhao B., LIU J., Xu W., and Wang Z.,
2001. Spectrochem. Acta Part A 57: 149-154.
[3] Rajasekar M., Sreedaran S., Prabu R.,
Narayanan V., Jegadeesh R., Raman N., and
Rahiman A. K., 2010. J. Coord. Chem. 63:136-146.
[4] Abdallah S. M., Mohamed G.G., Zayed M.A.,
Abou M.S., and EI-Ela., 2009. Spectrochem . Acta
Part A 73: 833-840.
[5] Dhanaraj C.J., and Nair M.S., 2009.J.
Coord.Chem. 62: 4018-4028.
[6] Karthikeyan M.S., Parsad D.J., Poojary B., Bhat
K.S., Holla B.S., and Kumari N.S.,2006.
Bioorg.Med.Chem. 14: 7482-7489.
[7] Panneerselvam P., Nair R.R., Vijayalakshmi G.,
Subhramanian E.H., and Sridhar S.K., 2005.
Eur.J.Med.Chem. 40: 225-229.
[8] Wang C., Wu X., Tu S., and Jiang B., 2009.
Synth. React.Iorg.Met-Org. Chem 39:78-82.
[9] Mestrovic E., Bucar D.-K., Halasz I., and
Stilinovic., 2004. Acta Crystallographica Section
E 60: 1920-1922.
[10] Ainscough E.W., Brodie A.M., Denny W.A.,
and Finlay G.J., 1998. Journal of Inorganic
Biochemistry 70: 175-185.
[11] Cotton F.A., and Wilkinson G., 1988.Angew.
Chem. Int. Ed. Engl.27:436.
[12] Karlin K.D., and Zubieta J., Copper
Coordination chemistry Biochemical and Inorganic
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Perspectives,Adenine Press, New YORK, 1983
and refs. Therein.
[13] Sheldrick,G.M., 1990. Acta Crystallogr.,
Sect., A 46: 467-473.
[14] Gaussian 09, Revision C.01, Frisch,M.J.,
Trucks,G.W.,
Schlegel,H.B.,
Scuseria,G.E.,
Robb,M.A., Cheeseman,J.R., Scalmani, G.,
Barone,V.,
Mennucci, B.,
Petersson,G.A.,
Nakatsuji,H., Caricato,M., Li,X., Hratchian,H.P.,
Izmaylov,A.F., Bloino,J., Zheng,G., Sonnenberg,
J.L., Hada, M., Ehara,M., Toyota,K., Fukuda,R.,
Hasegawa, J., Ishida, M., Nakajima,T., Honda, Y.,
Kitao, O., Nakai, H., Vreven,T., Montgomery,J.A.,
Peralta. Jr., J. E. Ogliaro,f., Bearpark,M., Heyd,
J.J.,
Brothers,
E.,
Kudin,K.N.,
Staroverov,V.N.,Keith, T.,
Kobayashi, R.,
Normand, J., Raghavachari, K., Rendell,A.,

Burant, J.C., Iyengar, S.S., Tomasi,J., Cossi,M.,
Rega,N.,
Millam, J.M.,
Klene,M., Knox,
J.E.,Cross,J.B.,
Bakken,V.,
Adamo,C.,
Jaramillo,J.,
Gomperts, R. Stratmann, R.E.,
Yazyev, O., Austin, A.J., Cammi, R., Pomelli,C.,
Ochterski, J.W.,
Martin, R.L. Morokuma,K.,
Zakrzewski, V.J., Voth, G.A., Salvador,P.,
Dannenberg, J.J., Dapprich,S.,
Daniels,A.D.,
Farkas,O.,
.
Foresman,J.B.,
Ortiz,J.V.,
Cioslowski,J., and
Fox,D.J., Gaussian, Inc.,
Wallingford CT, 2010.
[15] . Lee, C., Yang, W., and Parr,R.G., 1988.
Phys. Rev., B 37:785-789.
Table 1
Crystal data and Refinement details for Complex(1)
Empirical formula
Formula weight
Temperature ( K )
Wavelength ( )
Crystal system
Space group
Unit cell dimensions
a()
b()
c()
()
()
()
Volume ( A3 )
Z
Density cal ( Mg m-3 )
Absorption coefficient ( mm-1 )
F ( 000 )
Range ( ) for data collection
Index ranges
Goodness-of-fit on F2
Completeness to theta
Independent reflections ( Rint )
Refinement method
Reflections collected
Final R indices [I
2( I )]
Largest difference peak and hole ( eA-3)
C20H20Cl4Cu2N4
609.59
293(2)
0.71073
Monoclinic
P21 / n
3.8742(7)
8.6325(17)
17.096(3)
90.00
91.974(10)
90.00
571.42(18)
1
1.771
2.373
306
25.50
-4h4
-10k9
-19l20
1.230
0.994
0.0544(835)
Full-matrix least squares on F2
1067
R1=0.0840, R2=0.2175
1.771
Table 2
Selected some bond distances ( ) and angles ( ) for complex (1)
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Vol-2, Issue-3 , 2016
Selected some Bond distances
Cu1-N1
Cu1-Cl1
N1-C1
N1-C5
Cu1-Cl1
Bond distances value ( )

2.037
2.318
1.35(1)
1.34(1)
2.318
Selected angles
N1-Cu1-Cl1
N1-Cu1-N1
N1-Cu1-Cl1
Cl1-Cu1-N1
Cl1-Cu1-Cl1
Cu1-N1-C1
Cu1-N1-C5
Bond angles value ( )

90.1
180.00
89.9
89.9
180.00
120.1
121.5
Table 3
Selected some Copper square planar complexes (Cu-N) Bond distances ( ) and
Bond angle() values.
Complexes
Cu-N()
0-Cu-N()
C28H28CuN6O4
2.014
91.4
2( C30H26CuN2O2 ),
C2H3N
1.956
1.942
93.42
171.48
171.23
93.11
86.40
17
C14H18ClCuN3O5
1.903
1.935
2.020
1.920
1.956
1.925
1.953
1.952
1.962
1.978
97.6
176.8
97.5
173.43
83.8
164.8
81.1
176.92
18
92.01
164.80
163.20
92.49
92.03
170.96
91.67
96.71
97.24
20
C9H9CuN5O5
C36H32CdCu2N6O4S2
N-Cu-N ( )
Ref
16
19
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Vol-2, Issue-3 , 2016
C34H32Cu2N6O10Sr
1.9739
1.9887
1.9740
1.9760
92.11
167.31
169.26
92.61
91.83
165.
96.62
96.63
21
Table 4
Experimental and calculated bond distances () for complex
Experimental
2.318(2)
2.037(7)
2.318(2)
2.037(7)
Cu1 -Cl1
Cu1 -N1
Cu1-Cl1_d
Cu1-N1_d
Calculated
2.39298
1.99960
2.39303
1.99960
Experimental and calculated bond angles () for complex

Experimental
90.1(2)
180.00
89.9(2)
89.9(2)
180.00
90.1(2)
Cl1-Cu1-N1
Cl1-Cu1-Cl1_d
Cl1-Cu1-N1_d
Cl1_d-Cu1-N1
N1-Cu1-N1_d
Cl1_d-Cu1-N1_d
Calculated
90.00447
179.93717
90.00595
89.99571
179.97255
89.99390
Table 5
Selected list of excitation energies of complex(1) in Methanol using CPCM model.
Excitation
4
6
8
9
12
Wavelength
(nm)
534.54
487.66
395.51
393.89
325.68
Oscillatory
strength (f)
0.0087
0.0008
0.0007
0.173
0.0015
14
16
18
302.07
290.50
290.12
0.0189
0.0134
0.0028
19
22
24
288.74
272.65
267.53
0.2786
0.0002
0.0002
26
264.35
0.0054
Major Contribution
Assignment
HOMO-1()LUMO() (99%)
HOMO-3() LUMO() (97%)
HOMO-13() LUMO() (68%)
HOMO-4() LUMO() (94%)
HOMO-5() LUMO +3() (10%),
HOMO-5() LUMO +4() (10%)
HOMO() LUMO() (84%)
HOMO-9() LUMO() (94%)
HOMO-5() LUMO() (19%),
HOMO-2() LUMO +1() (10%),
HOMO-6() LUMO +2() (13%),
HOMO-5() LUMO +1() (18%)
HOMO-10() LUMO() (95%)
HOMO() LUMO +1() (52%)
HOMO-1() LUMO() (64%), HOMO()
LUMO +1() (30%)
HOMO-2() LUMO +1() (94%)
L1MCT
L1MCT
IMCT
L1MCT
ILCT
ILCT
L1LCT
LMCT
ILCT
L1LCT
ILCT
ILCT
LMCT
L1LCT
L1LCTL1LCT
L1LCT
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Vol-2, Issue-3 , 2016
28
261.91
0.0075
30
259.54
0.0041
HOMO-3() LUMO() (11%),

HOMO-2() LUMO +1() (15%),
HOMO-1() LUMO +2() (69%)
HOMO-3() LUMO() (84%)
L1LCTL1LCT
L1LCT
L1LCT
LMCT= Pyridine ring to copper charge transfer, L1MCT= Chlorine to copper charge transfer,
ILCT= Intra pyridine charge transfer, L1LCT= Chlorine to pyridine charge trans
Table 6
Selected MOs along with their energies and compositions of complex(1)
MOs
Energy (eV)
% of Composition
Ring
Cu
-MOs
LUMO+15
LUMO+14
LUMO+13
LUMO+12
LUMO+11
LUMO+10
LUMO+9
LUMO+8
LUMO+7
LUMO+6
LUMO+5
LUMO+4
LUMO+3
LUMO+2
LUMO+1
HOMO -1
HOMO -2
HOMO -3
HOMO -4
HOMO -5
HOMO -6
HOMO -7
HOMO -8
HOMO -9
HOMO -10
HOMO -11
HOMO -12
HOMO -13
HOMO -14
HOMO -15
Cl
4.17
3.99
3.98
3.70
3.47
2.73
2.73
2.11
0.92
0.74
0.49
0.48
-1.07
-1.13
-1.76
-1.82
100
98
92
98
96
97
100
13
0
0
0
0
99
98
99
98
0
2
7
2
4
3
0
86
100
100
100
97
1
2
1
1
0
0
1
0
0
0
0
1
0
0
0
3
0
0
0
1
-6.85
27
16
57
-7.18
-7.26
-7.30
-7.52
-7.96
-8.04
-8.09
-8.62
-8.88
-9.28
-9.33
-10.37
-10.44
-10.61
-10.63
6
16
3
1
98
88
20
90
79
97
35
13
4
31
61
1
2
4
4
0
0
7
7
3
2
49
87
93
61
38
92
82
93
94
2
11
73
3
18
2
16
0
3
7
1
4.01
3.99
3.70
3.50
98
92
98
96
2
8
2
3
0
0
0
1
-MOs
LUMO+15
LUMO+14
LUMO+13
LUMO+12
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Vol-2, Issue-3 , 2016
LUMO+11
LUMO+10
LUMO+9
LUMO+8
LUMO+7
LUMO+6
LUMO+5
LUMO+4
LUMO+3
LUMO+2
LUMO+1
2.75
2.75
2.09
0.92
0.75
0.59
0.48
-1.08
-1.13
-1.73
-1.79
3.68
7.09
HOMO -1
HOMO -2
HOMO -3
HOMO -4
HOMO -5
HOMO -6
HOMO -7
HOMO -8
HOMO -9
HOMO -10
HOMO -11
HOMO -12
HOMO -13
HOMO -14
HOMO -15
-7.17
-7.19
-7.43
-7.68
-7.96
-8.03
-8.56
-8.69
-8.80
-9.05
-9.55
-9.95
-9.97
-10.31
-10.49
100
97
13
-5
0
-1
0
99
98
99
98
18
0
2
87
105
100
100
97
0
1
1
1
53
0
0
1
1
0
0
3
0
1
0
1
30
92
15
2
2
9
98
91
87
5
89
95
26
9
1
55
27
2
5
4
10
0
0
10
53
2
2
61
91
93
39
71
83
93
93
81
1
9
3
41
8
3
14
0
5
5
1
ALL FIGURES
Fig.2a. DFT complex(1) optimized structure (Selected and MOS ( Fig. 2b & 2c).)
Alpha MOs
Fig.2b
HOMO-5, 54
HOMO-2,57
HOMO-4, 55
HOMO-3, 56
HOMO-1,58
HOMO,59
Page 35

Vol-2, Issue-3 , 2016
LUMO, 60
LUMO+3, 63
LUMO+1, 61
LUMO+4, 64
Beta MOs
LUMO+2, 62
LUMO+5, 65
Fig.2c
HOMO-3, 55
HOMO-5, 53
HOMO-2, 56
HOMO-4, 54
HOMO-1, 57
HOMO, 58
LUMO+1, 60
LUMO+2, 61
LUMO+4, 63
LUMO+5, 64
LUMO, 59
LUMO+3, 62
Additional Supporting Files can be downloaded from main issue of journal
http://www.onlinejournal.in/v2i32016/
Page 36

Synthesis, Characterizations, Crystal Structure, Density Functional Theory and TD DFT Studies of One New Dichloro-Bis (Pyridine-N) - CuII, C20H20Cl4Cu2N4 Complex

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Synthesis, Characterizations, Crystal Structure, Density Functional Theory and TD DFT Studies of One New Dichloro-Bis (Pyridine-N) - CuII, C20H20Cl4Cu2N4 Complex

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Vol-2, Issue-3 , 2016