대한화학회지 (Journal of the Korean Chemical Society)

  • 제63권3호
  • /
  • Pages.160-165
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  • 2019
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  • 1017-2548(pISSN)
  • /
  • 2234-8530(eISSN)
대한화학회 (Korean Chemical Society)
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Reaction and Theoretical Study of the Coordination of an N2O-Donor Amino Alcoholic Ligand Toward Group 12 Metals Mixtures

  • 투고 : 2019.01.10
  • 심사 : 2019.02.15
  • 발행 : 2019.06.20
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초록

A series of reactions between an amino alcoholic ligand, cis-2-((2-((2-hydroxyethyl)amino)ethyl)amino)cyclohexan-1-ol (HEAC), with the mixtures of group 12 metals including, $HgCl_2/CdCl_2$, $HgCl_2/CdI_2$, $ZnCl_2/CdCl_2$ and $ZnCl_2/CdCl_2/HgCl_2$ was experimentally and theoretically studied to determine the most stable product of these reactions. Furthermore, the Cambridge Structural Database (CSD) studies were done to evaluate the theoretical results. The products were characterized by elemental analysis, FT-IR, Raman, $^1H$ NMR spectroscopy and single-crystal X-ray diffraction. Based on these investigations a binuclear structure of cadmium, [$Cd_2(HEAC)_2({\mu}-Cl)_2Cl_2$] (1), is the most stable product that was formed in all studied reactions between HEAC and metals mixtures. In this structure, the cadmium atom has a $CdN_2O({\mu}-Cl)_2Cl$ environment and distorted octahedral geometry.

키워드

JCGMDC_2019_v63n3_160_f0001.png 이미지

Scheme 1. Structure of the cis-2-((2-((2-hydroxyethyl)amino)ethyl)amino)cyclohexan-1-ol (HEAC).

JCGMDC_2019_v63n3_160_f0002.png 이미지

Figure 1. The ortep diagram of the molecular structure of the complex 1. The ellipsoids are drawn at the 50% probability level.

Table 1. Crystal data and structure refinement for 1

JCGMDC_2019_v63n3_160_t0001.png 이미지

Table 2. Optimized structure for possible homo- and hetero-atomic binuclear compounds of group 12 metals with HEAC along with their CSD average

JCGMDC_2019_v63n3_160_t0002.png 이미지

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