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11.
Abstract Infrared and Raman spectra (4000-200 cm?1) were recorded for 4-vinylpyridine and vibrational assignments made for fundamental modes on the basis of frequency shifts of the coordinated ligand, of the group vibrational concept and comparison with the assignments for related molecules. the infrared spectra of M(4-vinylpyridine)2Ni(CN)4 (M=Mn, Cd, Fe, Co, Ni or Cu) are reported. 相似文献
12.
Yusuf Erdogdu M. Tahir Güllüoğlu Mustafa Kurt Şenay Yurdakul 《Journal of inclusion phenomena and macrocyclic chemistry》2009,64(3-4):341-355
We report the results of detailed experimental and theoretical studies on the molecular structure and vibrational spectra of metal(II) halide complexes of 1,3-bis(4-pyridyl)propane [M(N2C13H14)X2, where M represents Zn or Hg, and X represents Cl, Br, or I]. The FT–infrared spectra (FT-IR) and FT-Raman spectra of the metal complexes of the 1,3-bis(4-pyridyl)propane molecule in the powder form were recorded between the 400–4000 and 5–3500 cm?1 regions, respectively. The molecular geometry and vibrational frequencies of the metal complexes of 1,3-bis(4-pyridyl)propane in the ground state were calculated using density functional theory (B3LYP functional) with LANL2DZ and SDD as basis sets. The total energy distributions (TED) among the symmetry coordinates of the normal modes were computed for the low-energy structure of the molecules. Complete vibrational assignments based on the calculated TED values are given. 相似文献
13.
The mid-IR, far-IR, and Raman spectra of piperidine-3-carboxylic acid were measured and interpreted with support of the MP2 and B3LYP/6-311++G(d, p) calculated harmonic vibrational spectra. 10 stable piperidine-3-carboxylic acid tautomers/isomers were found after B3LYP, calculations. The experimental absorption bands of carboxylate (COO?) group show that the free piperidine-3-carboxylic acid molecule exists in zwitterionic form and the most stable tautomer (NAT-1) can be stabilized by an intramolecular N-H...O hydrogen bond. All vibrational frequencies of NAT-1 assigned in detail with the help of total energy distribution (TED). The experimental vibrational wave numbers were compared with the calculated data. 相似文献
14.
Bahat M Yurdakul S 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2002,58(5):933-939
The results of an infrared and Raman spectroscopic study are reported for seven new metal(II) pyrimidine tetracyanonickelate complexes, M(pyr)2Ni(CN)4 [where (pyr) = pyrimidine; M = Mn, Fe, Co, Zn, Ni, Cu or Cd] and an IR spectroscopic study is presented for new cadmium pyrimidine tetracyanometalate complex, Cd(pyr)2Cd(CN)4. The spectral data suggest that the first seven compounds belong to the Hofmann-type and the last compound belongs to the Hofmann-Td-type of complexes. 相似文献
15.
The FT-IR, FT-Raman and FT-NMR spectra of the compound 4-(4-Chlorophenyl)-1H-imidazole (4-ClPI) was recorded and analyzed. Density functional method has been used to compute optimized geometry, vibrational wavenumbers and NMR spectra of the 4-ClPI. Only one tautomeric form was found most stable by using B3LYP functional with the 6?C311++G(d,p) as basis sets. The detailed interpretation of the vibrational spectra was carried out with the aid of total energy distribution (TED) following the scaled quantum mechanical force field methodology. 相似文献
16.
Şenay Yurdakul M. Tahir Güliüoğlu 《Journal of inclusion phenomena and macrocyclic chemistry》2001,40(3):231-237
Infrared spectra of M(piperidine)2Ni(CN)4.0.5G (M=Co, Ni or Cu;G= chlorobenzene, 1,2-dichlorobenzene or 1,3-dichlorobenzene; M=Co or Ni;G=1,4-dichlorobenzene) compounds are reported. The piperidine molecules inthe host permit the inclusion of bulky guest molecules. The spectral featuressuggest that the compounds are similar in structure to the Hofmann-type clathrates. 相似文献
17.
18.
Ş. Uysal A. Coşkun Z. E. Koç M. Uçan H. I. Uçan 《Russian Journal of Coordination Chemistry》2007,33(5):351-357
In this study, acetophenone is used as a basis substance. ω-Isonitrosoacetophenone has been synthesized from nitrosyl with
amyl nitrite of acetophenone in the presence of sodium ethoxide. Subsequently, anti-phenylglyoxime has been prepared by reacting ω-isonitrosoacetophenone with hydroxylamine and sodium acetate in a ethanolic
media. Chlorophenylglyoxime has been obtained from reaction with chlorine gases. Then, three aminophenylglyoxime (ligands)
have been prepared by the reaction of chlorophenylglyoxime and the corresponding amines. The Ni(II), Co(II), and Cu(II) complexes
with BF2+-bridge of anilinophenylglyoxime and 2,4-dimethylanilinophenylglyoxime were prepared. Then polymeric metal complexes with
BF2+-bridge of dopamiophenylglyoxime were prepared. Their structures were identified by FT-IR, 1H NMR, and ICP-AES spectral data, elemental analysis and magnetic measurements.
The article was submitted by the authors in English.
An erratum to this article is available at . 相似文献
19.
Infrared spectra (4000–200 cm−1) are reported for metal halide(II) benzimidazole complexes of the following stoichiometries: M(benz)X2 [M=Cd, Cu; X=Cl, Br; BENZ=benzimidazole], Co(benz)2, and Co(benz)2X2 [X=Cl, Br, I]. Vibrational assignments are given for all the observed bands. The analysis of the vibrational spectra indicates that there are some structure–spectra correlations. For a given series of isomorphous complexes the sum of the difference between the values of the vibrational modes of uncoordinated benzimidazole and coordinated to metal ion benzimidazole was found to increase in the order of the second ionization potentials of metals. 相似文献
20.
Şenay Yurdakul Mehmet Banat 《Journal of inclusion phenomena and macrocyclic chemistry》1996,26(1-3):127-131
Two new dioxane clathrates of the form M(4-tert-bupy)2 Ni(CN)4·dioxane (M = Ni or Co) have been prepared in powder form. Their spectral data were compared with those of the corresponding host complexes and found to be consistent with the host structure found in Hofmann type clathrates.Presented at the Sixth International Seminar on Inclusion Compounds, Istanbul, Turkey, 27–31 August, 1995. 相似文献