CONFORMATIONAL STABILITIES, EPR, IR AND VCD STUDIES OF TRIS (ETHYLENEDIAMINE) NICKEL (II) CHLORIDE

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.

NOURANI N.; RAHEMI H.; TAYARI S.F.

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:2010 | Volume:7 | Issue:4 Page(s): 934-945

Download Full-Text

View:

693

Download:

389

Cites:

Information Journal Paper

Title

CONFORMATIONAL STABILITIES, EPR, IR AND VCD STUDIES OF TRIS (ETHYLENEDIAMINE) NICKEL (II) CHLORIDE

Author(s)

NOURANI N. | RAHEMI H. | TAYARI S.F. | Issue Writer Certificate

Keywords

TRIS(ETHYLENEDIAMINE)NICKEL(II) CHLORIDE

CONFORMATIONAL STABILITIES

FOURIER TRANSFORM INFRARED SPECTRA

VIBRATIONAL CIRCULAR DICHROISM

ELECTRON PARAMAGNETIC RESONANCE

Abstract

Conformational stabilities of the transition metal complex of the [Ni (en) 3] Cl2 was studied using Density Functional Theory (DFT). The deformational potential energy profiles (PEPS), pathways between the different isomeric conformational energies were calculated using B3LYP/6-31G. Relative conformational energies of the D(lll), D(lld), D(ldd) and D(ddd) were 0.04, 0.36, 0.17, 0.0 kcal mol-1, respectively, which were small compared to the barrier heights for the reversible phase transitions 51.12, 50.48, 49.64 kcal mol-1, respectively. The frequency assignment was carried out by fitting Fourier transform infrared (FTIR) spectra and using Gaussian and GaussView computer programs. The theoretical VIBRATIONAL CIRCULAR DICHROISM (VCD) absorption spectra are presented for all conformations in the range of 400-3500 cm-1. Calculated ELECTRON PARAMAGNETIC RESONANCE (EPR) gtensor parameters of the [Ni (en) 3] Cl2, gx=2.69, gy=gz=2.71, are well compared to the corresponding experimental values and indicate a spherical electronic structure for the Ni atom in this compound.

Cites

No record.

References

No record.

Cite

APA: Copy

NOURANI, N., RAHEMI, H., & TAYARI, S.F.. (2010). CONFORMATIONAL STABILITIES, EPR, IR AND VCD STUDIES OF TRIS (ETHYLENEDIAMINE) NICKEL (II) CHLORIDE. JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS), 7(4), 934-945. SID. https://sid.ir/paper/282485/en

Vancouver: Copy

NOURANI N., RAHEMI H., TAYARI S.F.. CONFORMATIONAL STABILITIES, EPR, IR AND VCD STUDIES OF TRIS (ETHYLENEDIAMINE) NICKEL (II) CHLORIDE. JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS)[Internet]. 2010;7(4):934-945. Available from: https://sid.ir/paper/282485/en

IEEE: Copy

N. NOURANI, H. RAHEMI, and S.F. TAYARI, “CONFORMATIONAL STABILITIES, EPR, IR AND VCD STUDIES OF TRIS (ETHYLENEDIAMINE) NICKEL (II) CHLORIDE,” JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS), vol. 7, no. 4, pp. 934–945, 2010, [Online]. Available: https://sid.ir/paper/282485/en

Related Journal Papers

No record.

Related Seminar Papers

No record.

Related Plans

No record.

Recommended Workshops