Study Of Nucleophilic Substitution Reaction Research Articles

Experimental and Quantum Mechanical Study of Nucleophilic Substitution Reactions of meta- and para-Substituted Benzyl Bromides with Benzylamine in Methanol: Synergy Between Experiment and Theory

This work involves the experimental and theoretical study of the nucleophilic substitution of meta- and para-substituted benzyl bromides with benzylamine. Conductometric rate experiments confirm the applicability of the Hammett linear free-energy relationship to this system. To gain a deep understanding of the physical chemistry at play, a quantum mechanical study of the reaction is also conducted. The quantum mechanical calculations not only reproduce the experimental free energy of activation, but also provide greater insights at the molecular and atomic level. Isolation of the calculated transition state structure and application of the Hammett equation to its electronic, structural, and energetic properties are studied.

Quantum chemical modeling of nucleophilic substitution reactions in the complexes cis-Pt(NH3)2Cl2 and cis-Pd(NH3)2Cl2

The B3LYP/6-31G** method was used for the study of nucleophilic substitution reaction in platinum and palladium square-planar cis-diaminate complexes. The processes under consideration take place in two steps through pentacoordinated transition states. Activation barriers for both steps of these processes in gaseous phase and aqueous solution were calculated. A major role in the increase in the activation energies is played by the formation of the intermediate electrostatic Van der Waals’ complexes. For the complex cis-[Pd(NH3)2Cl2], the activation barriers in the nucleophilic substitution reaction are considerably lower than those for the complex cis-[Pt(NH3)2Cl2].

Studies of Nucleophilic Substitution Reactions of p‐Nitrophenyl Acetate with Some Dihydroxamate Ions in Cationic Micellar Media

Pseudo‐first‐order rate constants have been determined for the nucleophilic substitution reactions of p‐nitrophenyl acetate with oxalo, malono, and succinodihydroxamate ions (−ONHC(O)(CH2)nC(O)NHO−) in phosphate buffer (pH=7.9) at 27°C. The rate data of the reaction revealed that the nucleophilic reactivity sequence of these hydroxamate ions is generally ODHA>MDHA>SDHA. The kobs value increases upon addition of cationic surfactants to the reaction medium which is typical behavior of micelle‐assisted bimolecular reactions. The pseudo‐phase ion exchange model has been successfully applied to determine binding constant.

ChemInform Abstract: Morphine Alkaloids. Part 106. Reactions of Morphine Derivatives Containing Double Allylic System. Part 2. Studies of Nucleophilic Substitution Reactions of Dihalo Derivatives.

ChemInformVolume 20, Issue 44 Natural Products ChemInform Abstract: Morphine Alkaloids. Part 106. Reactions of Morphine Derivatives Containing Double Allylic System. Part 2. Studies of Nucleophilic Substitution Reactions of Dihalo Derivatives. S. BERENYI, S. BERENYI Dep. Org. Chem., Kossuth Lajos Univ., H-4010 DebrecenSearch for more papers by this authorS. MAKLEIT, S. MAKLEIT Dep. Org. Chem., Kossuth Lajos Univ., H-4010 DebrecenSearch for more papers by this authorA. SEPSI, A. SEPSI Dep. Org. Chem., Kossuth Lajos Univ., H-4010 DebrecenSearch for more papers by this author S. BERENYI, S. BERENYI Dep. Org. Chem., Kossuth Lajos Univ., H-4010 DebrecenSearch for more papers by this authorS. MAKLEIT, S. MAKLEIT Dep. Org. Chem., Kossuth Lajos Univ., H-4010 DebrecenSearch for more papers by this authorA. SEPSI, A. SEPSI Dep. Org. Chem., Kossuth Lajos Univ., H-4010 DebrecenSearch for more papers by this author First published: October 31, 1989 https://doi.org/10.1002/chin.198944310Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinkedInRedditWechat No abstract is available for this article. Volume20, Issue44October 31, 1989 RelatedInformation

Variation of transition state in reactions of benzensulfonyl chlorides with anilines in MeOH-MeCN solvents

Kinetic studies of nucleophilic substitution reactions of substituted benzensulfonyl chlorides with anilines were conducted at 35° in a range of methanol-acetonitrile solvent mixtures. Results showed that (i) the magnitudes of ϱN and β with a change of suhstituent in the nucleophile are large and indicate a relatively advanced bond-formation in the transition state, (ii) maximum size of ϱN and ϱs β at the solvent composition of the maximum ionizing power, together with a positive cross-interaction coefficient, suggest S N2 transition state of a “synchronous push-pull” type, and (iii) the potential energy surface model is unstable to predict the transition slate variation to a more product-like transition state, where bond formation is much more progressed and bond-breaking is slightly more advanced, upon changing the solvent to a more ionizing one enhancing leaving ability In this respect the quantum mechanical model is superior to the potential energy surface model.

Kinetic Study of Nucleophilic Substitution Reactions of α‐ and β‐Naphthacyl Bromides with simple mono and disubstituted anilines

Kinetic Study of Nucleophilic Substitution Reactions of α‐ and β‐Naphthacyl Bromides with simple mono and disubstituted anilines

Theoretical ab initio study of nucleophilic substitution reactions involving radical anion intermediates

Theoretical ab initio study of nucleophilic substitution reactions involving radical anion intermediates

Kinetic studies of nucleophilic substitution Reactions of β‐ and α‐Naphthacyl Bromides with Sodium Benzoates in 50% aqueous ethanol

Journal für Praktische ChemieVolume 320, Issue 1 p. 166-168 Arbeitsvorschriften und Meßergebnisse Kinetic studies of nucleophilic substitution Reactions of β- and α-Naphthacyl Bromides with Sodium Benzoates in 50% aqueous ethanol Kinetische Studien über nucleophile Substitutionsreaktionen von α- und β- Naphthacylbromiden mit Natriumbenzoat in wäßrigem Äthanol N. R. Naik, N. R. Naik Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar, India-388 120 GujaratSearch for more papers by this authorB. P. Suthar, B. P. Suthar Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar, India-388 120 GujaratSearch for more papers by this authorMrs. T. B. Shah, Mrs. T. B. Shah Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar, India-388 120 GujaratSearch for more papers by this authorProf. Dr. S. R. Patei, Corresponding Author Prof. Dr. S. R. Patei Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar, India-388 120 GujaratDepartment of Chemistry, Sardar Patel University, Vallabh Vidyanagar, India-388 120 GujaratSearch for more papers by this author N. R. Naik, N. R. Naik Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar, India-388 120 GujaratSearch for more papers by this authorB. P. Suthar, B. P. Suthar Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar, India-388 120 GujaratSearch for more papers by this authorMrs. T. B. Shah, Mrs. T. B. Shah Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar, India-388 120 GujaratSearch for more papers by this authorProf. Dr. S. R. Patei, Corresponding Author Prof. Dr. S. R. Patei Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar, India-388 120 GujaratDepartment of Chemistry, Sardar Patel University, Vallabh Vidyanagar, India-388 120 GujaratSearch for more papers by this author First published: 1978 https://doi.org/10.1002/prac.19783200122Citations: 2AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinkedInRedditWechat Citing Literature Volume320, Issue11978Pages 166-168 RelatedInformation

Kinetic study of nucleophilic substitution reaction on nitrogen atom

Kinetic study of nucleophilic substitution reaction on nitrogen atom