Electronic Structure Calculation and Crystal Structure of Trimethylpyridine Cobalt Chloride Complex
2017 ◽
Vol 60
(3)
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pp. 117-121
Keyword(s):
The new complex of 2, 4, 6-trimethylpyridine (TMPy) cobalt chloride consists of CoCl4 anionsand trimethylpyridine cations by ionic electrostatic force. This complex belongs in space group of P21/c,having crystalline parameters of a = 8.915, b = 17.339, c = 13.945 Å, b = 102.54°, Z = 4 and Dm = 1.37Mg·m. Electronic structure calculation results indicated stronger covalence of (CoCl4)2- and demonstratedthat the coordination compound of CoCl4·(HTMPy)2 is very stable. There are positive charges on C2, C4and C6 positions, and negative charges on C3 and C5 positions in pyridine ring. Mulliken bond grade andatom net charge were derived.
2013 ◽
Vol 35
(3)
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pp. A1299-A1324
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1994 ◽
Vol 250
(1)
◽
pp. 285-291
2018 ◽
Vol 87
(9)
◽
pp. 093701
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1981 ◽
Vol 106
(1)
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pp. K39-K41
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Keyword(s):