Sayyed Faramarz Tayyari

Professor Sayyed Faramarz Tayyari

Ph.D, D.I.C

Ferdowsi University of Mashhad

Professor

Mashhad, Khorasan Razavi | Iran

Specialties: Spectroscopist

Sayyed Faramarz Tayyari

Professor Sayyed Faramarz Tayyari

Ph.D, D.I.C
Introduction

Primary Affiliation: Ferdowsi University of Mashhad - Mashhad, Khorasan Razavi , Iran

Specialties:


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14

Publications

1094

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71

Reads

3

PubMed Central Citations

Top co-authors

Publications

14Publications

71Reads

3PubMed Central Citations

Normal coordinate analysis, hydrogen bonding, and conformation analysis of heptane-3,5-dione

J. Mol. Struct. 1103 (2016) 35-44

Journal of Molecular Structure

Fourier transform Raman and infrared spectral measurements have been made for the heptane-3,5-dione (HPD) and simultaneously compared with those of acetylacetone (AA) to give a clear understanding of substitution effect of ethyl groups (in b-positions) on the structure, electron delocalization, and intramolecular hydrogen bonding (IHB). Molecular structure, conformational stabilities, and intramolecular hydrogen bonding of different oxo-enol forms of HPD, have been investigated by MP2, BLYP, B2PLYP, TPSSh, and B3LYP methods, using various basis sets, and experimental results. The energy differences between four stable E1-E4 chelated forms are relatively negligible. The theoretical and experimental results obtained for stable oxo-enol forms of HPD have been compared with each other and also with those of AA. According to the theoretical calculations, HPD has a hydrogen bond strength of about 15.9 kcal/mol, calculated at the B3LYP/6-311þþG** level, which is the same as AA, 15.9 kcal/mol. This similarity in the IHB strength is also consistent with the experimental results of the band frequency shifts for the OH/OD and O$$$O stretching and OH/OD out-of-plane bending frequencies and chemical shift of the OeH group. The molecular stability and the hydrogen bond strength also were investigated by applying the topological analysis, geometry calculations, and spectroscopic results. Potential energy distribution (PED) and normal coordinate analysis have also been performed. A complete assignment of the observed band frequencies has been suggested the presence of four HPD forms at comparable amounts in the sample.

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September 2015
11 Reads

Vibrational assignment and structure of trinuclear oxo-centered of basic formate iron(III) and chromium(III) complexes: a density functional theory study.

Spectrochim Acta A Mol Biomol Spectrosc 2014 Sep 15;130:287-94. Epub 2014 Apr 15.

Chemistry Department, Shahrood Branch, Islamic Azad University, Shahrood, Iran. Electronic address:

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September 2014
8 Reads
2.35 Impact Factor

Tautomerism in pyridazin-3(2H)-one: a theoretical study using implicit/explicit solvation models.

J Mol Graph Model 2014 Apr 28;49:47-54. Epub 2014 Jan 28.

Chemistry Department, Shahrood Branch, Islamic Azad University, Shahrood, Iran.

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April 2014
2 Reads
1.72 Impact Factor

Investigation of simple and water assisted tautomerism in a derivative of 1,3,4-oxadiazole: a DFT study.

J Mol Graph Model 2013 Jul 14;44:120-8. Epub 2013 May 14.

Department of Chemistry, Shahrood Branch, Islamic Azad University, Shahrood, Iran.

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July 2013
2 Reads
1.72 Impact Factor

Structure and vibrational analysis of methyl 3-amino-2-butenoate.

Spectrochim Acta A Mol Biomol Spectrosc 2013 Feb 1;102:350-7. Epub 2012 Nov 1.

Department of Chemistry, Ferdowsi University of Mashhad, Mashhad 91779, Iran.

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February 2013
4 Reads
2.35 Impact Factor

Methane storage in homogeneous armchair open-ended single-walled boron nitride nanotube triangular arrays: a grand canonical Monte Carlo simulation study.

J Mol Model 2012 Jun 20;18(6):2699-708. Epub 2011 Nov 20.

Department of Chemistry, Ferdowsi University of Mashhad, Mashhad, Iran.

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June 2012
7 Reads

Structure and vibrational assignment of beryllium acetylacetonate.

Spectrochim Acta A Mol Biomol Spectrosc 2009 Jul 5;73(2):342-7. Epub 2009 Mar 5.

Chemistry Department, Ferdowsi University of Mashhad, Mashhad 91775-1436, Iran.

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July 2009
8 Reads
2.35 Impact Factor

Vibrational assignment and structure of trifluorobenzoylacetone. A density functional theoretical study.

Spectrochim Acta A Mol Biomol Spectrosc 2007 Mar 7;66(3):626-36. Epub 2006 Apr 7.

Department of Chemistry, University of Ferdowsi, Mashhad 91775-1436, Iran.

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March 2007
9 Reads
2.35 Impact Factor

Structure and vibrational assignment of the enol form of 1,1,1-trifluoro-2,4-pentanedione.

Spectrochim Acta A Mol Biomol Spectrosc 2006 Oct 24;65(2):387-96. Epub 2006 Feb 24.

Chemistry Department, Alzahra University, Tehran 1993891167, Iran.

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October 2006
5 Reads
1 PubMed Central Citation(source)
2.35 Impact Factor

Fourier transform infrared and Raman spectra, vibrational assignment and density functional theory calculations of naphthazarin.

Spectrochim Acta A Mol Biomol Spectrosc 2004 Jan;60(1-2):111-20

Chemistry Department, Ferdowsi University, Mashhad 91775-1436, Iran.

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January 2004
6 Reads
2.35 Impact Factor

Fourier transforms infrared spectra and structure of triformylmethane. A density functional theoretical study.

Spectrochim Acta A Mol Biomol Spectrosc 2003 Jun;59(8):1757-72

Department of Chemistry, Ferdowsi University of Mashhad, PO Box 1436, Mashhad 91779-1436, Iran.

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June 2003
4 Reads
2.35 Impact Factor

Vibrational assignment of aluminum(III) tris-acetylacetone.

Spectrochim Acta A Mol Biomol Spectrosc 2002 Oct;58(12):2669-82

Department of Chemistry, Ferdowsi University of Mashhad, Iran.

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October 2002
8 Reads
2.35 Impact Factor

Structure and vibrational spectra of the enol form of hexafluoro-acetylacetone. A density functional theoretical study.

Spectrochim Acta A Mol Biomol Spectrosc 2002 Jun;58(8):1669-79

Department of Chemistry, Ferdowsi University of Mashhad, Iran.

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June 2002
5 Reads
1 PubMed Central Citation(source)
2.35 Impact Factor

Vibrational assignment of 4-amino-3-penten-2-one.

Spectrochim Acta A Mol Biomol Spectrosc 2002 Jun;58(8):1681-95

Department of Chemistry, Ferdowsi University of Mashhad, Iran.

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June 2002
3 Reads
1 PubMed Central Citation(source)
2.35 Impact Factor