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    Iranian Journal of Organic Chemistry ( Scientific )
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    Iranian Journal of Organic Chemistry (Iran JOC) is published quarterly by the Islamic Azad University of Qaemshahr. Copyright is reserved by the Islamic Azad University of Qaemshahr.
    The Iranian Journal of Organic Chemistry is an open access scientific international journal which covers fundamental research in theory and practice organic chemistry, including organic synthesis, organic reactions, natural product chemistry and structural investigations. Iran JOC is published every three month by Islamic Azad University of Qaemshahr, Qaemshahr, Islamic Republic of Iran. The journal publishes full research papers, communications and reviews in English. All enquiries to the editorial office and the support team should be written in English
    Abbreviation:
    Iran J. Org. Chem.
    Copyright Information:
    The author warrants that this research work has not been published and will not be published elsewhere prior to publication by the publisher. By submitting a typescript, the authors agree that the copyright for their paper is transferred to the publisher, if and when the paper is accepted for publication.
     

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    • Open Access Article

      1 - Mechanistic Investigation of the [1+4] Cycloaddition Reaction Between Alkyl Isocyanides and 3-benzylidene-2,4-pentanedione: A Theoretical Study
      Mohammad Zakarianezhad Batoul Makiabadi Atefeh Abbaslou
      The stepwise reaction mechanism of the [1+4] cycloaddition reaction between alkyl isocyanides (contains methyl benzene isocyanide, tert-butyl isocyanide, cyclohexyl isocyanide) with 3-Benzylidene-2,4-pentanedione both in the gas phase and in solvent was studied theoreti More
      The stepwise reaction mechanism of the [1+4] cycloaddition reaction between alkyl isocyanides (contains methyl benzene isocyanide, tert-butyl isocyanide, cyclohexyl isocyanide) with 3-Benzylidene-2,4-pentanedione both in the gas phase and in solvent was studied theoretically with B3LYP method using 6-311++G(d,p) basis set. The potential energy of all structures participated in the reaction path has been evaluated. The quantum mechanical calculation was performed to gain a better understanding of the most important geometrical parameters, determine the solvent effect, and the effect of different substituted groups on the potential energy surfaces. Unexpectedly, the second step of all reactions was recognized as the rate-determining step. The best product configuration was recognized based upon the quantum mechanical calculations. The natural bond orbital method (NBO) applied for a better understanding of molecular interaction. The final rate equation shows that the overal reaction rate is second order which depends on the R1 and R2 concentration. The order of reaction with respect to each reactant is one. articledetails Manuscript profile

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  • Affiliated to
    Islamic Azad University of Qaemshahr
    Director-in-Charge
    Mohammad Ali Khalilzadeh (Associate professor of Organic Chemistry Islamic Azad University, Qaemshahr, Iran) Mohammad Ali Khalilzadeh (Department of Chemistry, Qaemshahr Branch, Islamic Azad University, Qaemshahr, Iran)
    Editor-in-Chief
    Mahmood Tajbakhsh (professor of Organic Chemistry University of Mazandaran)
    Editorial Board
    Majid M. Heravi (Professor of Organic Chemistry Azzahra University, Tehran, Iran) Babak Karimi (Professor of Organic Chemistry Institute for Advanced Studies in Basic Sciences, Zanjan, Iran) M. T. Maghsoodlou (Professor of Organic Chemistry University of Sistan and Baluchestan, Zahedan, Iran) Mahmood Tajbakhsh (Professor of Organic Chemistry University of Mazandaran, Babolsar, Iran) Shadpour Mallakpour (Department of Chemistry, Isfahan University of Technology, Isfahan) Mohammad Ali Khalilzadeh (Associate professor of Organic Chemistry Islamic Azad University, Qaemshahr, Iran) Daryoush Zareyee (Associate professor of Organic Chemistry Islamic Azad University, Qaemshahr, Iran) Zinatossadat Hossaini (Associate professor of Organic Chemistry Islamic Azad University, Qaemshahr, Iran) György Keglevich (Professor of Organic Chemistry Budapest University of Technology and Economics) Vladimir Dimitrov (professor of Organic Chemistry Institute of Organic Chemistry with Centre of Phytochemistry, Sofia 1113, Bulgaria) Thierry Ollevier (Professor of Organic Chemistry Université Laval, Département de Chimie, Québec (Québec), G1V 0A6, Canada) Md. Akhtaruzzaman (Associate professor of Organic Chemistry The National University of Malaysia)
    Print ISSN: 2008-3599

    Publication period: Quarterly
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    E-mail: Khalilzadeh_iranjoc@yahoo.com

    Office Tel. No: (+98) 11-42155223

    Postal Code: 4765161964

    PO Box: 163

    Address:  Islamic Azad University (Qaemshahr  Branch),  7 km Allameh Tabarsi St. (Nezami Road), Qaemshahr, Iran

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    Statistics

    Number of Volumes 16
    Number of Issues 63
    Printed Articles 576
    Number of Authors 129
    Article Views 6469
    Article Downloads 2084
    Number of Submitted Articles 284
    Number of Rejected Articles 17
    Number of Accepted Articles 265
    Acceptance 87 %
    Time to Accept(day) 35
    Reviewer Count 9
    Last Update 5/11/2024