کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7691404 | 1495988 | 2014 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
CHâ¯Ni interactions and cyano-bridged heteronuclear polymeric complexes studied by vibrational spectroscopy and quantum chemistry calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: CHâ¯Ni interactions and cyano-bridged heteronuclear polymeric complexes studied by vibrational spectroscopy and quantum chemistry calculations CHâ¯Ni interactions and cyano-bridged heteronuclear polymeric complexes studied by vibrational spectroscopy and quantum chemistry calculations](/preview/png/7691404.png)
چکیده انگلیسی
Three 1D bimetallic M(II)/Ni(II) (M = Cu, Zn and Cd) complexes, [Cu(OHepy)2Ni(CN)4]n (1), [Zn(OHepy)2Ni(CN)4]n (2) and [Cd(OHepy)2Ni(CN)4]n (3) (2-(2-hydroxyethyl)pyridine abbreviated to OHepy), have been synthesized and characterized by FT-IR and Raman spectroscopy, elemental, thermal analyses and single crystal X-ray diffraction techniques. FT-IR and Raman spectra of OHepy have been experimentally and theoretically investigated in the region of 4000-250 cmâ1. The corresponding vibrational assignments of OHepy are examined by means of B3LYP hybrid density functional theory (DFT) method together with 6-311++G(d, p) basis set. Moreover, reliable vibrational assignments have been made on the basis of potential energy distribution (PED). The structures of the complexes consist of one-dimensional polymeric chain M(OHepy)2NCNi(CN)2CNM(OHepy)2â, in which the M(II) and Ni(II) atoms are linked by CN groups. The nickel atom is fourfold coordinated with four cyanide-carbon atoms in a square planar arrangement and the metal(II) atoms are sixfold coordinated with two cyanide nitrogen, two OHepy nitrogen and two OHepy oxygen atoms, in a distorted octahedral arrangement. In all the complexes adjacent chains are connected by Ïâ¯Ï, CHâ¯Ni and OHâ¯N hydrogen bonding interactions to form two and three dimensional networks.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Vibrational Spectroscopy - Volume 71, March 2014, Pages 105-114
Journal: Vibrational Spectroscopy - Volume 71, March 2014, Pages 105-114
نویسندگان
GüneÅ Süheyla KürkçüoÄlu, Elvan Sayın, Kansu Gör, Taner Arslan, Orhan Büyükgüngör,