SUPRAMOLECULAR STRUCTURE OF CALCIUM (II) BASED ON CHELIDAMIC ACID: AN AGREEMENT BETWEEN THEORETICAL AND EXPERIMENTAL STUDIES

Q: How can I download an article?

To download an article from SID, first log in to the site, search for the article title, and click on the 'Download Article' option.

Q: How can I download an ISI article?

To download an ISI article on SID, enter the keyword or article title in the search bar, view the relevant results, click on the desired article, and select the 'Download Article' option.

Q: How can I access the SID database?

To access the SID database, visit SID.ir, create an account, and log in to access scientific resources.

Q: Is downloading articles from SID free?

Some articles on SID are available for free, while others require payment. Details are specified on the article's page.

AGHABOZORG H.; FIROOZI N.; ROSHAN L.; ESHTIAGH HOSSEINI H.; SALIMI A.R.; MIRZAEI M.; GHANBARI M.; SHAMSIPUR M.; GHADERMAZI M.

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

Journal Paper

Paper Information

Journal: JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS) Year:2011 | Volume:8 | Issue:4 Page(s): 992-1005

Download Full-Text

View:

317

Download:

129

Cites:

Information Journal Paper

Title

SUPRAMOLECULAR STRUCTURE OF CALCIUM (II) BASED ON CHELIDAMIC ACID: AN AGREEMENT BETWEEN THEORETICAL AND EXPERIMENTAL STUDIES

Author(s)

Keywords

CALCIUM (II)

CRYSTAL STRUCTURE

HYDROGEN BONDS

COORDINATION COMPOUNDS

DFT

SOLUTION STUDIES

Abstract

A novel supramolecular structure of ans -Block metal ion, Ca (II) atom, formulated as (pnH2)2 [Ca2 (H2O)2 (Hhypydc)4]·4H2O (1), was synthesized and characterized by elemental analysis, IR, 1H and 13C NMR spectroscopies and single crystal X-ray diffraction. Compound1 is a member of a large family of supramolecular metallic compounds recently derived from a proton transfer ion pair, (pnH2) (Hhypydc), where pn is propane-1, 3-diamine and (Hhypydc)2- is 4-hydroxypyridine-2, 6-dicarboxylate ion. Based upon the molecular structure analysis of the binuclear anionic complex, the coordination environment around each Ca (II) atom is pentagonal bipyramidal with seven-coordination number. The strong hydrogen bonding between hydroxyl groups of two neighboring anionic complexes produce the nice tape as X-like supramolecular structure. Optimization was carried out using two standard basis sets of 6-31G (d, p) for the single anionic complex (S) and LanL2MB basis set for the double anionic complexes (D) which describe the electrons of all atoms. As an interesting finding from our theoretical calculations, when we reoptimized the double complexes in the presence of strong hydrogen bond interaction between two hydroxyl groups, O3-H3A···O8ii (ii=x -1, y, z-1), it was revealed that the parallel position of ligands to each other was exactly like that of the solid state. The complexation reaction of H3hypydc with Ca2+ in aqueous solution was investigated by potentiometric pH titrations, the equilibrium constants and species distribution in various pHs. The for major complexes formed are described.

Cites

No record.

References

No record.

Cite

APA: Copy

AGHABOZORG, H., FIROOZI, N., ROSHAN, L., ESHTIAGH HOSSEINI, H., SALIMI, A.R., MIRZAEI, M., GHANBARI, M., SHAMSIPUR, M., & GHADERMAZI, M.. (2011). SUPRAMOLECULAR STRUCTURE OF CALCIUM (II) BASED ON CHELIDAMIC ACID: AN AGREEMENT BETWEEN THEORETICAL AND EXPERIMENTAL STUDIES. JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS), 8(4), 992-1005. SID. https://sid.ir/paper/282637/en

Vancouver: Copy

AGHABOZORG H., FIROOZI N., ROSHAN L., ESHTIAGH HOSSEINI H., SALIMI A.R., MIRZAEI M., GHANBARI M., SHAMSIPUR M., GHADERMAZI M.. SUPRAMOLECULAR STRUCTURE OF CALCIUM (II) BASED ON CHELIDAMIC ACID: AN AGREEMENT BETWEEN THEORETICAL AND EXPERIMENTAL STUDIES. JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS)[Internet]. 2011;8(4):992-1005. Available from: https://sid.ir/paper/282637/en

IEEE: Copy

H. AGHABOZORG, N. FIROOZI, L. ROSHAN, H. ESHTIAGH HOSSEINI, A.R. SALIMI, M. MIRZAEI, M. GHANBARI, M. SHAMSIPUR, and M. GHADERMAZI, “SUPRAMOLECULAR STRUCTURE OF CALCIUM (II) BASED ON CHELIDAMIC ACID: AN AGREEMENT BETWEEN THEORETICAL AND EXPERIMENTAL STUDIES,” JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS), vol. 8, no. 4, pp. 992–1005, 2011, [Online]. Available: https://sid.ir/paper/282637/en

Related Journal Papers

No record.

Related Seminar Papers

No record.

Related Plans

No record.

Recommended Workshops