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2015. 9
JIEGOU HUAXUE
Chinese J. Struct. Chem.
ABSTRACT
carboxylic acid) has been synthesized and characterized by single-crystal X-ray diffraction,
elemental analysis and infrared spectroscopy analysis. All carboxylate oxygen atoms of btc3
participate in coordination with the central Ba(II) ions. The Ba(1) center is eight-coordinated with a
distorted square antiprismatic coordination geometry, while the Ba(2) ion is ten-coordinated with a
distorted dicapped square prism. Three carboxyl groups of the anion btc3- take 2-1:1 and 2-2 :1
coordination modes, respectively. The whole btc3- anion acts as a 6-bridge connecting six different
Ba(II) ions to form a 3D framework structure. Luminescent and thermal stable properties of
complex 1 were investigated.
Keywords: 1,3,5,-benzenetriarboxylic acid, crystal structure, barium;
DOI: 10.14102/j.cnki.0254-5861.2011-0678
INTRODUCTION
for the synthesis of functional metal organic frameIn last decades, the metal-organic frameworks
(MOFs) have attracted more and more attention not
[1-4]
and so on
[5-7]
. A large number of
[8-12]
1392
No. 9
investigated.
2. 3
EXPERIMENTAL
2. 1
General procedures
against
F2
by
full-matrix
least-squares
with
[19, 20]
SHELXL-97
3. 1
IR spectrum of 1
2015
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JIEGOU HUAXUEChinese
J.
Struct. Chem.
1393
Bond
Dist.
Bond
Dist.
Bond
Ba(1)O(1)
2.728(3)
Ba(1)O(2)
2.857(4)
Ba(1)O(3)
Dist.
2.769(3)
Ba(1)O(4)
2.664(3)
Ba(1)O(5)
2.782(3)
Ba(1)O(8)
2.823(4)
Ba(1)O(9)
2.856(3)
Ba(1)O(11)
2.873(3)
Ba(2)O(5)
2.990(3)
Ba(2)O(5)#1
2.990(3)
Ba(2)O(6)
2.760(3)
Ba(2)O(6)#1
2.760(3)
Ba(2)O(7)
2.817(3)
Ba(2)O(7)#1
2.817(3)
Ba(2)O(8)
3.013(4)
Ba(2)O(8)#1
3.013(4)
Ba(2)O(9)
2.977(3)
Ba(2)O(9)#1
2.977(3)
Angle
()
Angle
()
Angle
()
O(4)Ba(1)O(1)
78.58(10)
O(4)Ba(1)O(3)
148.70(10)
O(1)Ba(1)O(3)
75.65(9)
O(4)Ba(1)O(5)
125.09(11)
O(1)Ba(1)O(5)
155.89(11)
O(3)Ba(1)O(5)
80.44(10)
O(3)Ba(1)O(8)
70.05(10)
O(4)Ba(1)O(8)
134.41(10)
O(1)Ba(1)O(8)
104.19(10)
O(5)Ba(1)O(8)
63.91(10)
O(4)Ba(1)O(9)
75.40(10)
O(1)Ba(1)O(9)
131.26(10)
O(8)Ba(1)O(9)
69.16(10)
O3Ba(1)O(9)
135.63(10)
O(5)Ba(1)O(9)
66.52(10)
O(1)Ba(1)O(2)
93.68(10)
O(5)Ba(1)O(2)
86.35(10)
O(8)Ba(1)O(2)
142.03(11)
O(4)Ba(1)O(2)
81.47(12)
O(9)Ba(1)O(2)
121.73(11)
O(4)Ba(1)O(11)
69.46(10)
114.86(9)
O(3)Ba(1)O(2)
82.75(11)
O(1)Ba(1)O(11)
66.82(10)
O(3)Ba(1)O(11)
O(5)Ba(1)O(11)
122.32(10)
O(8)Ba(1)O(11)
70.30(10)
O(6)Ba(2)O(7)#1
83.02(10)
O(9)Ba(1)O(11)
65.67(9)
O(2)Ba(1)O(11)
147.34(11)
O(6)#1Ba(2)O(9)#1
106.95(9)
O(6)Ba(2)O(6)#1
180.0
O(6)Ba(2)O(7)#1
83.02(10)
O(7)Ba(2)O(9)#1
61.73(9)
O(6)Ba(2)O(7)
96.98(10)
O(6)#1Ba(2)O(7)#1
96.98(10)
O(6)Ba(2)O(9)#1
73.05(9)
O(7)Ba(2)O(7)#1
180.0
O(7)Ba(2)O(9)
118.27(9)
O(7)#1Ba(2)O(9)
61.73(9)
O(6)Ba(2)O(9)#1
73.05(9)
O(9)Ba(2)O(9)#1
180.0
O(6)#1Ba(2)O(5)#1
45.22(9)
O(7)#1Ba(2)O(9)#1
118.27(9)
O(6)Ba(2)O(5)#1
134.78(9)
O(7)Ba(2)O(5)#1
69.46(10)
O(6)Ba(2)O(9)
106.95(9)
O(7)#1Ba(2)O(5)#1
110.54(10)
O(9)#1Ba(2)O(5)#1
62.44(9)
O(9)Ba(2)O(5)#1
117.56(9)
O(6)Ba(2)O(5)#1
134.78(9)
O(6)#1Ba(2)O(8)#1
84.18(10)
O(6)Ba(2)O(5)
45.22(9)
O(7)Ba(2)O(5)
110.54(10)
O(7)#1Ba(2)O(8)
118.12(10)
O(7)Ba(2)O(5)#1
69.46(10)
O(9)Ba(2)O(5)#1
117.56(9)
O(9)#1Ba(2)O(8)#1
65.10(10)
O(9)Ba(2)O(5)
62.44(9)
O(5)Ba(2)O(5)#1
180.0
O(5)#1Ba(2)O(8)#1
59.23(9)
O(6)#1Ba(2)O(8)
95.82(10)
O(6)Ba(2)O(8)#1
95.82(10)
O(6)Ba(2)O(8)
84.18(10)
O(7)#1Ba(2)O(8)#1
61.88(9)
O(7)Ba(2)O(8)
61.88(9)
O(7)Ba(2)O(8)#1
118.12(10)
O(9)Ba(2)O(8)#1
114.90(10)
O(9)Ba(2)O(8)#1
114.90(10)
O(9)Ba(2)O(8)
65.10(10)
O(5)#1Ba(2)O(8)
120.77(9)
O(5)Ba(2)O(8)#1
120.77(9)
O(5)Ba(2)O(8)
59.23(9)
O(8)Ba(2)O(8)#1
180.00(12)
O(8)Ba(2)O(8)#1
180.00(12)
3. 2
Crystal structure of 1
3-
1394
No. 9
[26-28]
ces of BaO are in the normal ranges of those observed in the reported Ba(II) compound
Scheme 1.
2015
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JIEGOU HUAXUEChinese
Struct. Chem.
1
1395
J.
3-
(Fig. 4).
Fig. 2.
One-dimensional structure in 1
Fig. 3.
Two-dimensional structure in 1
Fig. 4.
1396
face-to-face
interaction
No. 9
between
adjacent
interactions.
DHA
d(DH) ()
D(HA) ()
d(DA) ()
Angle DHA ()
O(2)H(2B)O(4)#1
0.85
2.37
2.981(5)
129
O(8)H(8A)O(12)#2
0.85
2.04
2.833(5)
156
O(8)H(8B)O(7)#2
0.85
2.20
2.995(5)
156
O(9)H(9A)O(3)#3
0.85
2.05
2.858(5)
159
O(9)H(9B)O(11)#4
0.85
2.17
2.839(5)
135
O(11)H(11A)O(1)#4
0.85
2.23
2.808(5)
125
O(11)H(11B)O(9)#5
0.85
2.16
2.839(5)
137
O(12)H(12A)O(11)#6
0.85
2.12
2.792(5)
135
O(12)H(12B)O(6)#7
0.85
2.02
2.792(5)
150
3. 3
ligand
[28, 29]
3. 4
Thermogravimetric analyses
Weight / %
90
80
70
60
350
Fig. 5.
400
450
Wavelength / nm
500
550
100
200
Fig. 6.
300
400
Temperature / oC
TG curve of 1
500
600
2015
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JIEGOU HUAXUEChinese
J.
Struct. Chem.
1397
400
350
Intensity / a.u.
300
250
200
150
100
50
0
Fig. 7.
20
30
40
2/o
50
60
70
CONCLUSION
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