NDLI: A one-dimensional silver(I) coordination polymer with saccharin and pyrazine: synthesis, crystal structure, thermal analysis, FTIR spectra, and DFT studies

Content Provider	SpringerLink
Author	Hamamci, Sevim Yilmaz, Veysel T. Gumus, Sedat Büyükgüngör, Orhan
Copyright Year	2007
Abstract	A silver(I) complex of saccharinate (sac) with pyrazine (pyz), [Ag(sac)(pyz)]$_{ n }$ , has been synthesized and characterized by elemental analysis, IR, thermal analysis, and single-crystal X-ray diffractometry. The complex crystallizes orthorhombic space group Pnma with unit cell parameters of a = 13.0073(9) Å, b = 6.4907(6) Å, c = 13.4007(9) Å, V = 1131.37(15) Å$^{3}$, and Z = 4. [Ag(sac)(pyz)]$_{ n }$ is a one-dimensional coordination polymer, in which the sac ligand acts as a monodentate ligand through the N atom and the trigonal silver centers are linked by the bridging pyz ligands. The individual chains are connected into two-dimensional supramolemular network by aromatic π(sac)···π(pyz) stacking interactions. The FTIR spectrum of [Ag(sac)(pyz)]$_{ n }$ has been recorded in the region and 4,000–400 cm$^{−1}$. The optimized geometry, frequency, and intensity of the vibrational bands of [Ag(sac)(pyz)]$_{ n }$ were obtained by density functional theory (DFT) at the B3LYP level. The vibrational frequencies were calculated and the scaled values have been compared with the experimental FTIR data. The observed and calculated frequencies are found to be in good agreement.
Starting Page	123
Ending Page	129
Page Count	7
File Format	PDF
ISSN	10400400
Journal	Structural Chemistry
Volume Number	19
Issue Number	1
e-ISSN	15729001
Language	English
Publisher	Springer US
Publisher Date	2007-10-26
Publisher Place	Boston
Access Restriction	Subscribed
Subject Keyword	Silver(I) Saccharin Pyrazine One-dimensional polymer FTIR DFT Theoretical and Computational Chemistry Physical Chemistry Computer Applications in Chemistry
Content Type	Text
Resource Type	Article
Subject	Condensed Matter Physics Physical and Theoretical Chemistry

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