Prof. Evans Adei

Associate Professor

Dept: Chemistry
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Research Areas/Interests

Research Conducted/On Going Computational organic and organometallic chemistry, focusing on: The mechanisms of oxidation of olefins with transition m...~more

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Publications

    1. Harun Abdullah, Richard Tia, Evans Adei (2021) Regio-, stereo-, and site-selectivities of 1,3-dipolar Cycloaddition reaction of benzonitrile oxide with unsymmetrically substituted norbornenes and norbornadienes: A computational study. Journal of Physical Organic Chemistry https://doi.org/10.1002/poc.4259
    2. George Baffour Pipim, Richard Tia, Evans Adei (2021) Quantum Chemical Investigation of the Formation of Spiroheterocyclic Compounds Via the (3 + 2) Cycloaddition Reaction of 1-methyl-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one with Diazomethane and Nitrone Derivatives. Tetrahedron https://doi.org/10.1016/j.tet.2021.132306
    3. Abdul Rashid Umar, Richard Tia Evans Adei (2021) The 1,3-dipolar cycloaddition of adamantine-derived nitrones with maleimides: A computational study. Computational and Theoretical Chemistry 1195:113099 https://doi.org/10.1016/j.comptc.2020.113099
    4. Destiny Konadu, Caroline Rosemyya Kwawu, Richard Tia, Evans Adei, and Nora Henriette de Leeuw (2021) Mechanism of Guaiacol Hydrodeoxygenation on Cu (111): Insights from Density Functional Theory Studies. Catalysts, 11(4), 523; https://doi.org/10.3390/catal11040523
    5. Wisdom Kwaku Samba Richard Tia Evans Adei (2021) Regio-, enantio-, peri-, and stereo-selectivities of the reactions of five-membered cyclodiene derivatives with itaconic anhydride toward the formation of norbornene lactones. Journal Physical Organic Chemistry 34, e4132; https://doi.org/10.1002/poc.4132.
    6. Ahmed Yusif Abdulai Richard Tia Evans Adei (2021) A DFT mechanistic study on oxidative dehydrogenative Diels–Alder reaction of alkylbenzenes. Journal of Molecular Graphics and Modelling 107839 https://doi.org/10.1016/j.jmgm.2021.107839
    7. Cecil H. Botchway, Richard Tia, Evans Adei, Alexander J. O’Malley, Nelson Y. Dzade, Carlos Hernandez-Tamargo and Nora H. de Leeuw Influence of Topology and Brønsted Acid Site Presence on Methanol Diffusion in Zeolites Beta and MFI Catalysts 2020, 10(11), 1342; https://doi.org/10.3390/catal10111342
    8. George Baffour Pipim Richard Tia Evans Adei (2020) Computational exploration of the 1,3-dipolar cycloaddition reaction of 7-isopropylidene-benzonorbornadiene with nitrile oxide and cyclic nitrone derivatives. Journal Physical  Organic Chemistry. e4174. https://doi.org/10.1002/poc.4174
    9. Daniel Aboagye Akuamoah, Richard Tia, Evans Adei (2020) Computational study on the mechanism of the reaction of benzenesulfonyl azides with oxabicyclic alkenes. Journal of Molecular Graphics and Modelling 26(11):314. http://doi: 10.1007/s00894-020-04582-3.
    10. Albert Aniagyei, Caroline Kwawu, Richard Tia, Evans Adei (2020) Permanganyl chloride-mediated oxidation of tetramethylethylene: A density functional theory study J Mol Graph Model 1016/j.jmgm.2020.107616
    11. Abdul Rashid Umar, Richard Tia, Evans Adei (2020) DFT mechanistic studies on the regio-, stereo-, and enantio-selectivity of 1,3 dipolar cycloadditions of quinolinium imides with olefins, maleimides, and benzynes for the synthesis of fused N,N′-heterocycles (2020) Journal of Molecular Modeling 26:36. https://doi.org/10.1007/s00894-020-4299-6
    12. Ernest Opoku, George Baffour Pipim, Richard Tia, Evans Adei (2020) Mechanistic study of the tandem intramolecular (4 + 2)/intermolecular (3 + 2) cycloaddition reactions for the formation of polyaza- and polyisoxazolidine-steroids. Journal of Heterocyclic Chemistry 1-11. DOI: 10.1002/jhet.3900
    13. George Baffour Pipim, Ernest Opoku, Richard Tia, Evans Adei (2020) Peri-, Chemo-, Regio-, Stereo- and Enantio-Selectivities of 1,3-dipolar cycloaddition reaction of C,N-Disubstituted nitrones with disubstituted 4-methylene-1,3-oxazol-5(4H)- one: A quantum mechanical study. Journal of Molecular Graphics and Modelling 97, 107542. https://doi.org/10.1016/j.jmgm.2020.107542
    14. Caroline R. Kwawu, Albert Aniagyei, Richard Tia, Evans Adei (2020) A DFT investigation of the mechanisms of CO2 and CO methanation on Fe (111) Mater Renew Sustain Energy 9: 4. https://doi.org/10.1007/s40243-020-0164-x
    15. Ernest Opoku, Grace Arhin, George Baffour Pipim, Anita Houston Adams, Richard Tia, Evans Adei (2020) Site-, enantio- and stereo-selectivities of the 1,3-dipolar cycloaddition reactions of oxanorbornadiene with C,N-disubstituted nitrones and dimethyl nitrilimines: a DFT mechanistic study. Theoretical Chemistry Accounts 139: 16. https://doi.org/10.1007/s00214-019-2529-8
    16. Joseph Bortey Borketey, Ernest Opoku, Richard Tia, Evans Adei (2019) The mechanisms of gallium-catalysed skeletal rearrangement of 1,6-enynes – Insights from quantum mechanical computations. Journal of Molecular Graphics and Modelling 94: 107476 https://doi.org/10.1016/j.jmgm.2019.107476
    17. Daniel Roland, Jamin Nathaniel Haleegoah, Ernest Opoku, Richard Tia, Evans Adei (2019) Mechanistic studies on tandem cascade [4 + 2]/ [3 + 2] cycloaddition of 1,3,4-oxadiazoles with olefins. Journal of Molecular Graphics and Modelling 93: 107452. https://doi.org/10.1016/j.jmgm.2019.107452
    18. Grace Arhin, Anita Houston Adams, Ernest Opoku, Richard Tia, Evans Adei (2019) 1, 3-Dipolar cycloaddition reactions of selected 1,3-dipoles with 7-isopropylidenenorbornadiene and follow-up thermolytic cleavage: A computational study. Journal of Molecular Graphics and Modelling 92: 267-279. https://doi.org/10.1016/j.jmgm.2019.08.004
    19. Ernest Opoku, Richard Tia, Evans Adei (2019) Quantum chemical studies on the mechanistic aspects of tandem sequential cycloaddition reactions of cyclooctatetraene with ester and nitrones. Journal of Molecular Graphics and Modelling 92(C):17-31. DOI: 10.1016/j.jmgm.2019.06.019
    20. Ernest Opoku, Richard Tia, Evans Adei (2019) DFT Mechanistic Study on Tandem Sequential [4 + 2]/[3 + 2] Addition Reaction of Cyclooctatetraene With Functionalized Acetylenes and Nitrile Imines. Journal of Physical Organic Chemistry. DOI:10.1002/poc.3992
    21. Ernest Opoku, Richard Tia, Evans Adei (2019) Computational studies on [4 + 2] / [3 + 2] tandem sequential cycloaddition reactions of functionalized acetylenes with cyclopentadiene and diazoalkane for the formation of norbornene pyrazolines. J Mol Model 25: 168 https://doi.org/10.1007/s00894-019-4056-x
    22. Shiraz Nantogma, Richard Tia, Evans Adei (2018) A DFT Mechanistic Study of the Generation of Azomethine Ylides from the Ring-Opening Reactions of Stabilized Aziridines and Follow-up 1,3-Dipolar Cycloaddition Reactions with Acetaldehyde. Theor. Chem. 1144, 2018, 38-49
    23. Evans Fosu, Cecil Humphrey Botchway, Richard Tia, Evans Adei (2018) Diels-Alder cycloaddition versus ring-opening esterification: A computational study of the mechanism of formation of oxa-norbonene lactones from the reaction of furfuryl alcohol and itaconic anhydride. Theor. Chem. 1138,  7-14 https://doi.org/10.1016/j.comptc.2018.05.019
    24. Abigail Owusuwaa Gyamfi, Martin Amponsah Yeboah, Richard Tia, Evans Adei (2018) Computational Study on the Mechanism of Transition Metal-Catalyzed Formation of Highly-Substituted Furo [3, 4- d][1, 2] Oxazines Theor. Comput. Chem. https://doi.org/10.1142/S0219633618500116.
    25. Caroline Rosemyya Kwawu, Richard Tia, Evans Adei, Nelson Yaw Dzade, Catlow Richard Catlow, Nora de Leeuw, CO2 activation and dissociation on the low Miller index surfaces of pure and Ni-coated iron metal: a DFT study, Chem. Chem. Phys. 2017, 19, 19478 - 19486.
    26. Samuel Bekoe, Manasseh Kusi Osei, Richard Tia, Evans Adei (2018) Density functional theory studies on the generation of trimethylenemethanes from the ring opening of dialkoxymethylenecyclopropanes and methylenecyclopropanethio-acetals and follow-up reactions. Journal of Molecular Modeling 24(1). DOI: 10.1007/s00894-017-3558-7
    27. Caroline R. Kwawu, Richard Tia, Evans Adei, Nelson Y. Dzade, Richard A. Catlow, Nora H. de Leeuw (2017). Effect of nickel monolayer deposition on the structural and electronic properties of the low Miller indices of (bcc) iron: A DFT study. Applied Surface Science 400 (2017), 293 - 303. DOI: 10.1016/j.apsusc.2016.12.187
    28. Evans Fosu, Richard Tia and Evans Adei (2016) Mechanistic studies on Diels-Alder [4 + 2] cycloaddition reactions of α,β-substituted cyclobutenones: Role of substituents in regio- and stereoselectivity. Tetrahedron 72(50), 8261-8273. http://dx.doi.org/10.1016/j.tet.2016.10.063
    29. Ernest Opoku, Richard Tia, and Evans Adei (2016) [3 + 2] versus [2 + 2] Addition: A Density Functional Theory Study on the Mechanistic Aspects of Transition Metal-Assisted Formation of 1,2-Dinitrosoalkanes. Journal of Chemistry, vol. 2016. DOI:10.1155/2016/4538696
    30. Mary Mensah, Evans Elikem Amepetey, Richard Tia and Evans Adei (2016) 1,3-Dipolar [3 + 2] cycloaddition reactions of N,C,C-trisubstituted nitrones with ring-acceptor methylenecyclopropanes: A computational study. SpringerPlus 5:2072 DOI: 10.1186/s40064-016-3758-0
    31. Joel B. Awuah, Nelson Yaw Dzade,   Richard Tia,   Evans Adei,   Bright Kwakye-Awuah,   C Richard A Catlow and   Nora Henriette de Leeuw (2016) Density Functional Theory Study of Arsenic Immobilization by Al(III)-modified zeolite Clinoptilolite. Chem. Chem. Phys., 2016,18, 11297-11305. DOI: 10.1039/C6CP00190D
    32. Issahaku Ahmed, Richard Tia and Evans Adei (2016) Exploring the Peri-, Chemo-, and Regio-selectivity of Addition of Technetium Metal Oxides of the Type TcO3L (L = Cl-, O-, OCH3, CH3) to Substituted Ketenes: A DFT computational Study. J. Chem. DOI: 10.1139/cjc-2015-0295
    33. Issahaku Ahmed, Richard Tia and Evans Adei (2016) Exploring the Peri-, Chemo-, and Regio-selectivity of Addition of Manganese Metal Oxides MnO3L (L = Cl−, O−, OCH3, CH3) to Substituted Ketenes: A computational study. Chim. Act. 441, 57–66
    34. Issahaku Ahmed, Richard Tia and Evans Adei (2015) A Density Functional Theory Study of the Mechanisms of Addition of Transition Metal Oxides ReO3L (L = Cl-, O-, OCH3, CH3) to Substituted Ketenes. Theor. Comput. Chem.14(5), 1550035
    35. K. Mensah, E. Adei, D. Adei, M. D Ashie (2012) Perceptions of the use of indigenous leaves as packaging materials in the ready-to-eat cornmeals. Int. J. Biol. Chem. Sci. 6(3): 1051-1068.
    36. Tia and E. Adei (2011) Computational Studies of the Mechanisms of Organometallic Reactions: Unveiling Elusive Mechanistic Details of Organometallic Reactions. VDM Publishing House, Saabruken (A monograph)
    37. E. Adei, D. Adei, and S. Osei-Bonsu (2011) Assessment of Perception and Knowledge of Occupational Chemical Harzards, in the Kumasi Metropolitan Spray Painting Industry, Ghana. Journal of Science and Technology, 31(2), 83 – 94.
    38. Richard Tia and Evans Adei (2009) Density functional theory studies of the mechanisms of oxidation of ethylene by chromyl chloride. Inorg. Chem. 48, 11434 – 11443.
    39. Richard Tia and Evans Adei (2010) Density functional theory studies of the mechanistic aspects of olefin metathesis reactions. Dalton Trans. 39, 7575 – 7587.
    40. Richard Tia and Evans Adei (2011) [3+2] versus [2+2] addition of metal oxides across C=C bonds: A theoretical study of the mechanisms ofoxidations of ethylene by osmium oxide complexes. Comp. Theor. Chem. 977, 140 – 147.
    41. Richard Tia, Evans Adei, Joseph Baidoo and Juliana Edor (2016) Quantum Chemical Study of the Mechanisms of Oxidation of Ethylene by Molybdyl and Tungstyl Chloride. J. Chem. Sci. doi: 10.?1007/?s12039-016-1065-5.
    42. Albert Aniagyei, Richard Tia and Evans Adei (2016) A computational study of the addition of ReO3L (L = Cl−, CH3, OCH3 and Cp) to ethenone. SpringerPlus 5:354. DOI: 10.1186/ s40064-016-2012-0
    43. R. Tia, J. Amevor and E. Adei (2014) Computational  Studies  of  1,3-Dipolar  [3  +  2]-Cycloaddition  Reactions  of Fullerene-C60 with Nitrones. J. Theor. Comput. Sci. 1 (4), 1-6.
    44. R. Tia, E. Asempa and E. Adei (2014) Computational Studies of the Reactivity, Regio-Selectivity and Stereo-Selectivity of Pericyclic Diels-Alder Reactions of Substituted Cyclobutenones . J. Theor. Comput. Sci. 1 (3), 1-12.
    45. A. Aniagyei, R. Tia and E. Adei (2013) A theoretical study of the mechanisms of oxidation of ethylene by manganese oxo complexes. Dalton Trans., 2013, 42, 14411-14423.
    46. J. K. Mensah, E. Adei, D. Adei and A. A. Aryee (2013) Assessment of the perception and knowledge of chemical hazards associated with the handling and disposal of computer waste in Kumasi, Ghana. Expert Opin. Environ Biol. 2:3
    47. A. Aniagyei, R. Tia and E. Adei (2013) A Density Functional Theory Study of the Mechanisms of Oxidation of Ethylene by Rhenium Oxide Complexes. Dalton Trans., 42, 10885 - 10897
    48. A. Aniagyei, R. Tia and E. Adei (2013) A Density Functional Theory Study of the Mechanisms of Oxidation of Ethylene by Technetium oxo Complexes. Comp. Theor., Chem.1009, 70-80.
    49. J. K. Mensah, E. Adei, D. Adei, G. Owusu Ansah (2012) Assessment of local wood species used for the manufacture of cookware and the perception of chemical benefits and chemical hazards associated with their use in Kumasi, Ghana. Journal of Ethnobiology and Ethnomedicine, 8:46    doi:10. 1186/1746-4269-8-46.
    50. R. Tia and E. Adei. (2011) [3+2] versus [2+2] Addition of Metal Oxides Across C=C Bonds: A Theoretical Study of the Mechanisms of Oxidation of Ethylene by Osmium Oxide Complexes. Comp. Theor. Chem. 977,    140 – 147.
    51. R. Tia and E. Adei. (2011) Computational Studies of the Mechanistic Aspects of Olefin Metathesis Reactions Involving Metal Oxo-alkylidene Complexes. Comp. Theor. Chem. 971, 8 – 18. 
    52. R. Tia and E. Adei (2010) Density Functional Theory Studies of the Mechanistic Aspects of Olefin Metathesis reactions Dalton Trans., 39, 7575-7587.
    53. R. Tia and E. Adei (2009) Density Functional Theory Study of the Mechanisms of Oxidation of Ethylene by Chromyl Chloride. Inorg. Chem., 48, 11434 –11443
    54. E. Adei, L. Nunoo and E. Yankey (2009) Some Ghanaian herbal blood tonics as sources of iron and other elements (Cu, Zn, Mn, Cd, Pb)  Journal of Science and Technology, 29(1), 76-86
    55. E. Adei and K. Forson-Adaboh (2008). Toxic (Pb, Cd, Hg) and essential (Fe, Cu, Zn, Mn) metal content of liver tissue of some domestic and bush animals in Ghana. Food Additives and Contaminants: Part B 1(2), 100 – 105.

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