The structures and catalytic behaviors of two new complexes based on bifunctional tetrazole-carboxylate connector

ZHAO, Dandan; ZHAO, Yang; ZHANG, Huiqin; HE, Sujiao; CAI, Zhuanghong; HE, Luhong

doi:10.1590/fst.88122

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Food Science and Technology

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Original Article • Food Sci. Technol 42 • 2022 • https://doi.org/10.1590/fst.88122 copy

The structures and catalytic behaviors of two new complexes based on bifunctional tetrazole-carboxylate connector

Authorship SCIMAGO INSTITUTIONS RANKINGS

Abstract

Two transition metal coordination complexes [Co(Tppebc)₂(Py)(H₂O)]_n (1) and [Ni(Tppebc)₂(Py)(H₂O)]_n (2) (Py = pyridine, Tppebc = 3-(4-(2-(1H-tetrazol-5-yl)phenyl-4-yl) phenyl)-2-ethoxy-3H-benzimidazole-4-carboxylic acid) have been prepared by a hydrothermal method. The structural unit of complexes 1 and 2 adopts similar distorted octahedra geometry. Furthermore, both of those complexes feature a 1D chain and can be further extended to a higher-dimensional architecture through π···π stacking and hydrogen bonding. The catalytic property of complexes 1 and 2 were researched in the green catalytic process of the oxidative 2,6-di-tert-butylphenol (DBP). The high conversion and good selectivity results strongly indicate that both of the title complexes are catalytically active under the optimized reaction conditions.

Keywords:
tetrazole-carboxylate connector; crystal structures; 1D chains; catalytical active

Complex	1	2
Empirical formula	C₂₇H₂₁CoN₇O₄	C₂₇H₂₁NiN₇O₄
Formula weight	566.44	566.22
Temperature (K)	293(2)	293(2)
Wavelength (Mo-Kα) (Å)	1.54184	1.54184
Crystal system	triclinic	triclinic
Space group	P-1	P-1
a	8.1543(3)	8.0870(3)
b	11.5919(5)	11.6192(5)
c	13.3086(6)	13.2622(6)
α	97.015(4)	97.320(4)
β	94.562(3)	94.120(3)
γ	99.713(3)	100.042(3)
Volume (Å³), Z	1224.20(9), 2	1211.43(9), 2
F (000)	582	584
θ range for data collection(o)	3.36 to 73.52	3.38 to 73.49
Goodness-of-fit on F²	1.071	1.026
Final R₁^a, wR₂^b	0.0342, 0.0886	0.0344, 0.0884

Complex 1
Co(1)-O(1) #1	2.0572(14)	Co(1)-O(2)	2.1144(13)
Co(1)-O(3)	2.2086(15)	Co(1)-N(2)#2	2.1069(16)
Co(1)-N(3)#1	2.1486(16)	Co(1)-N(7)	2.1466(17)
3#Co(1)-N(2)	2.1069(16)	1#Co(1)-N(3)	2.1486(16)
1#O(1)-Co(1)-O(2)	97.42(5)	1#O(1)-Co(1)-O(3)	87.71(6)
1#O(1)-Co(1)-N(3)#1	88.70(6)	1#O(1)-Co(1)-N(7)	175.54(6)
O(2)-Co(1)-O(3)	85.81(5)	O(2)-Co(1)-N(3)#1	169.94(6)
O(2)-Co(1)-N(7)	87.00(6)	2#N(2)-Co(1)-O(2)	92.17(6)
2#N(2)-Co(1)-N(3)#1	96.29(6)	1# N(3)-Co(1)-O(3)	86.47(6)
Complex 2
1#Ni(1)-O(1)	2.0473(14)	Ni(1)-O(2)#2	2.1231(13)
1#Ni(1)-O(3)	2.1283(14)	1#Ni(1)-N(4)#2	2.0583(16)
1#Ni(1)-N(5)	2.0949(16)	1#Ni(1)-N(7)	2.0925(17)
1#Ni(1)-O(2)	2.1231(13)	2#Ni(1)-N(4)	2.0583(16)
O(1)-Ni(1)-O(2)#1	95.52(6)	O(1)-Ni(1)-O(3)	87.61(6)
O(1)-Ni(1)-N(4)#2	84.49(6)	O(1)-Ni(1)-N(5)	88.43(6)
2#N(4)-Ni(1)-O(2) #1	91.56(6)	1#O(2)-Ni(1)-O(3)	85.26(5)
2#N(4)-Ni(1)-O(3)	171.17(6)	2#N(4)-Ni(1)-N(5)	96.03(6)
2#N(4)-Ni(1)-N(7)	95.22(7)	N(5)-Ni(1)-O(2)#1	171.76(6)
N(7)-Ni(1)-O(2)#1	87.80(6)	N(7)-Ni(1)-N(5)	88.30(7)

Solvent	Acetone	Methanol	Ethanol	Acetonitrile	Water
Conversion of DBP (%)	93	89	85	95	86
Yield (%)^B DPQ	81	79	73	87	76
Yield (%)^B BQ	9	7	9	6	8
Selectivity^C DPQ (%)	90	92	89	94	90

Solvent	Acetone	Methanol	Ethanol	Acetonitrile	Water
Conversion of DBP (%)	92	91	83	96	88
Yield (%)^B DPQ	80	81	70	86	72
Yield (%)^B BQ	8	6	10	7	11
Selectivity^C DPQ (%)	91	93	86	95	87

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[1] *Corresponding author: zhaodandan613@163.com