Jeanet Conradie - Publications

Department of Chemistry University of the Free State 

74 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Alemayehu AB, McCormick-McPherson LJ, Conradie J, Ghosh A. Rhenium Corrole Dimers: Electrochemical Insights into the Nature of the Metal-Metal Quadruple Bond. Inorganic Chemistry. PMID 33998801 DOI: 10.1021/acs.inorgchem.1c00986  1
2021 Mateyise NGS, Conradie J, Conradie MM. Density functional theory calculated data of the iodomethane oxidative addition to oligothiophene-containing rhodium complexes - Importance of dispersion correction. Data in Brief. 35: 106929. PMID 33763509 DOI: 10.1016/j.dib.2021.106929  0.6
2020 Hough MA, Conradie J, Strange RW, Antonyuk SV, Eady RR, Ghosh A, Hasnain SS. Nature of the copper-nitrosyl intermediates of copper nitrite reductases during catalysis. Chemical Science. 11: 12485-12492. PMID 34094452 DOI: 10.1039/d0sc04797j  1
2020 Thomas KE, Conradie J, Beavers CM, Ghosh A. Free-base porphyrins with localized NH protons. Can substituents alone stabilize the elusive cis tautomer? Organic & Biomolecular Chemistry. PMID 32215434 DOI: 10.1039/D0Ob00452A  1
2019 Caulfield KP, Conradie J, Arman HD, Ghosh A, Tonzetich ZJ. Iron(II) Corrole Anions. Inorganic Chemistry. PMID 31697493 DOI: 10.1021/Acs.Inorgchem.9B02209  1
2019 Buitendach BE, Conradie J, Malan FP, Niemantsverdriet JWH, Swarts JC. Synthesis, Spectroscopy and Electrochemistry in Relation to DFT Computed Energies of Ferrocene- and Ruthenocene-Containing -Diketonato Iridium(III) Heteroleptic Complexes. Structure of [(2-Pyridylphenyl)Ir(RcCOCHCOCH]. Molecules (Basel, Switzerland). 24. PMID 31671705 DOI: 10.3390/Molecules24213923  0.52
2019 Conradie J, Ghosh A. Theoretical Search for the Highest Valence States of the Coinage Metals: Roentgenium Heptafluoride May Exist. Inorganic Chemistry. PMID 31203606 DOI: 10.1021/Acs.Inorgchem.9B01139  1
2019 Ghosh A, Conradie J. Stereochemistry of Transition-Metal Dinitrosyl Complexes. A Molecular Orbital Rationale for the Attracto and Repulso Conformations. Inorganic Chemistry. PMID 30986051 DOI: 10.1021/Acs.Inorgchem.9B00266  1
2019 Conradie J, Foroutan-Nejad C, Ghosh A. Norcorrole as a Delocalized, Antiaromatic System. Scientific Reports. 9: 4852. PMID 30890733 DOI: 10.1038/S41598-019-39972-Y  1
2019 Conradie J, Brothers PJ, Ghosh A. Main-Group-Element Isophlorin Complexes Revisited: The Question of a Subvalent Central Atom. Inorganic Chemistry. PMID 30874434 DOI: 10.1021/Acs.Inorgchem.9B00201  1
2019 Shan W, Desbois N, Pacquelet S, Stéphane Brandès, Rousselin Y, Conradie J, Ghosh A, Gros CP, Kadish KM. Ligand Noninnocence in Cobalt Dipyrrin-Bisphenols: Spectroscopic, Electrochemical, and Theoretical Insights Indicating an Emerging Analogy with Corroles. Inorganic Chemistry. PMID 30653313 DOI: 10.1021/Acs.Inorgchem.8B03006  1
2019 Ferreira H, Conradie MM, Conradie J. Cyclic voltammetry data of polypyridine ligands and Co(II)-polypyridine complexes. Data in Brief. 22: 436-445. PMID 30619920 DOI: 10.1016/J.Dib.2018.12.043  0.6
2018 Demissie TB, Conradie J, Vazquez-Lima H, Ruud K, Ghosh A. Rare and Nonexistent Nitrosyls: Periodic Trends and Relativistic Effects in Ruthenium and Osmium Porphyrin-Based {MNO} Complexes. Acs Omega. 3: 10513-10516. PMID 31459176 DOI: 10.1021/acsomega.8b01434  1
2018 Ferreira H, Conradie MM, Conradie J. Electrochemical data of Co(II) complexes containing phenanthroline functionalized ligands. Data in Brief. 21: 866-877. PMID 30426038 DOI: 10.1016/J.Dib.2018.10.046  0.6
2018 Brothers P, Tay ACY, Frogley B, Ware DC, Conradie J, Ghosh A. Tetrahedral Pegs in Square Holes: Stereochemistry of Diboron Porphyrazines and Phthalocyanines. Angewandte Chemie (International Ed. in English). PMID 30379390 DOI: 10.1002/Anie.201810704  1
2018 Ghosh A, Larsen S, Conradie J, Foroutan-Nejad C. Local versus global aromaticity in azuliporphyrin and benziporphyrin derivatives. Organic & Biomolecular Chemistry. PMID 30325395 DOI: 10.1039/C8Ob01672K  1
2018 Conradie J, Conradie MM, Tawfiq KM, Al-Jeboori MJ, D'Silva C, Coles SJ, Wilson C, Potgieter JH. Chemical and structural data of (1,2,3-triazol-4-yl)pyridine-containing coordination compounds. Data in Brief. 20: 1397-1408. PMID 30255118 DOI: 10.1016/J.Dib.2018.08.125  0.6
2018 Foroutan-Nejad C, Larsen S, Conradie J, Ghosh A. Isocorroles as Homoaromatic NIR-Absorbing Chromophores: A First Quantum Chemical Study. Scientific Reports. 8: 11952. PMID 30097587 DOI: 10.1038/S41598-018-29819-3  1
2018 Ganguly S, McCormick LJ, Conradie J, Gagnon KJ, Sarangi R, Ghosh A. Electronic Structure of Manganese Corroles Revisited: X-ray Structures, Optical and X-ray Absorption Spectroscopies, and Electrochemistry as Probes of Ligand Noninnocence. Inorganic Chemistry. PMID 29873229 DOI: 10.1021/Acs.Inorgchem.8B00537  1
2017 Conradie J, Ghosh A. Energetics of Saddling versus Ruffling in Metalloporphyrins: Unusual Ruffled Dodecasubstituted Porphyrins. Acs Omega. 2: 6708-6714. PMID 31457262 DOI: 10.1021/acsomega.7b01004  1
2017 Ganguly S, Conradie J, Bendix J, Gagnon KJ, McCormick LJ, Ghosh A. Electronic Structure of Cobalt-Corrole-Pyridine Complexes: Noninnocent Five-Coordinate Co(II) Corrole-Radical States. The Journal of Physical Chemistry. A. PMID 29227102 DOI: 10.1021/Acs.Jpca.7B09440  1
2017 Ganguly S, Renz D, Giles LJ, Gagnon KJ, McCormick LJ, Conradie J, Sarangi R, Ghosh A. Cobalt- and Rhodium-Corrole-Triphenylphosphine Complexes Revisited: The Question of a Noninnocent Corrole. Inorganic Chemistry. 56: 14788-14800. PMID 29210572 DOI: 10.1021/Acs.Inorgchem.7B01828  1
2017 Conradie J, Ghosh A. The Blue-Violet Color of Pentamethylbismuth: A Visible Spin-Orbit Effect. Chemistryopen. 6: 15-17. PMID 28168144 DOI: 10.1002/Ope  1
2016 Walter MR, Dzul SP, Rodrigues AV, Stemmler TL, Telser J, Conradie J, Ghosh A, Harrop TC. Synthesis of Co(II)-NO(-) Complexes and Their Reactivity as a Source of Nitroxyl. Journal of the American Chemical Society. PMID 27562882 DOI: 10.1021/Jacs.6B05896  1
2016 Vazquez-Lima H, Conradie J, Ghosh A. Metallocorrole Interactions with Carbon Monoxide, Nitric Oxide, and Nitroxyl-A DFT Study of Low-Energy Bound States. Inorganic Chemistry. PMID 27525455 DOI: 10.1021/Acs.Inorgchem.6B01189  0.92
2016 Conradie J, Ghosh A. Metalloporphyrin-Nitroxyl Interactions: The Low-Energy States of Reduced Manganese, Iron, and Cobalt Porphyrin Nitrosyls. The Journal of Physical Chemistry. B. PMID 27245286 DOI: 10.1021/Acs.Jpcb.6B04983  1
2016 Liu R, Van Rooyen PH, Conradie J. Geometrical isomers of tris(β-diketonato)metal(III) complexes for M = Cr or Co: Synthesis, X-ray structures and DFT study Inorganica Chimica Acta. 447: 59-65. DOI: 10.1016/J.Ica.2016.03.019  0.92
2016 Liu R, Conradie J, Erasmus E. Comparison of X-ray photoelectron spectroscopy multiplet splitting of Cr 2p peaks from chromium tris(β-diketonates) with chemical effects Journal of Electron Spectroscopy and Related Phenomena. 206: 46-51. DOI: 10.1016/j.elspec.2015.11.006  0.92
2015 Hopmann KH, Conradie J, Tangen E, Tonzetich ZJ, Lippard SJ, Ghosh A. Singlet-Triplet Gaps of Cobalt Nitrosyls: Insights from Tropocoronand Complexes. Inorganic Chemistry. 54: 7362-7. PMID 26203786 DOI: 10.1021/Acs.Inorgchem.5B00901  0.92
2015 van As A, Joubert CC, Buitendach BE, Erasmus E, Conradie J, Cammidge AN, Chambrier I, Cook MJ, Swarts JC. Tetrabenzoporphyrin and -mono-, -cis-di- and Tetrabenzotriazaporphyrin Derivatives: Electrochemical and Spectroscopic Implications of meso CH Group Replacement with Nitrogen. Inorganic Chemistry. 54: 5329-41. PMID 25970004 DOI: 10.1021/Acs.Inorgchem.5B00380  0.52
2015 Capar J, Conradie J, Beavers CM, Ghosh A. Molecular structures of free-base corroles: nonplanarity, chirality, and enantiomerization. The Journal of Physical Chemistry. A. 119: 3452-7. PMID 25819028 DOI: 10.1021/Jp511188C  1
2015 Conradie J, Patra AK, Harrop TC, Ghosh A. Square-antiprismatic eight-coordinate complexes of divalent first-row transition metal cations: a density functional theory exploration of the electronic-structural landscape. Inorganic Chemistry. 54: 1375-83. PMID 25574575 DOI: 10.1021/Ic502287M  0.92
2015 Van As A, Joubert CC, Buitendach BE, Erasmus E, Conradie J, Cammidge AN, Chambrier I, Cook MJ, Swarts JC. Tetrabenzoporphyrin and -mono-, - Cis -di- and tetrabenzotriazaporphyrin derivatives: Electrochemical and spectroscopic implications of meso CH Group replacement with nitrogen Inorganic Chemistry. 54: 5329-5341. DOI: 10.1021/acs.inorgchem.5b00380  0.92
2015 Conradie J, Berg S, Ghosh A. Mechanisms of Oxygen Atom Transfer between Main-Group Elements European Journal of Inorganic Chemistry. 2015: 4138-4144. DOI: 10.1002/Ejic.201500591  0.92
2014 Conradie J, Ghosh A. Stereochemical diversity of {MNO}(10) complexes: molecular orbital analyses of nickel and copper nitrosyls. Inorganic Chemistry. 53: 4847-55. PMID 24796643 DOI: 10.1021/Ic4028157  1
2014 Albrett AM, Thomas KE, Maslek S, M?odzianowska A, Conradie J, Beavers CM, Ghosh A, Brothers PJ. Mono- and diboron corroles: factors controlling stoichiometry and hydrolytic reactivity. Inorganic Chemistry. 53: 5486-93. PMID 24684580 DOI: 10.1021/Ic500114K  0.92
2014 Conradie MM, Conradie J, Erasmus E. Immobilisation of iron tris(β-diketonates) on a two-dimensional flat amine functionalised silicon wafer: A catalytic study of the formation of urethane, from ethanol and a diisocyanate derivative Polyhedron. 79: 52-59. DOI: 10.1016/J.Poly.2014.04.054  0.92
2013 Kuo CM, Bezuidenhoudt BCB, Conradie J. Determination of the relationship between theoretical vibrational frequencies and experimental IR absorbance bands in organic molecules: Computational study of oxane, chromane and flavan Journal of Physical Organic Chemistry. 26: 327-334. DOI: 10.1002/Poc.3092  0.92
2012 Thomas KE, Alemayehu AB, Conradie J, Beavers CM, Ghosh A. The structural chemistry of metallocorroles: combined X-ray crystallography and quantum chemistry studies afford unique insights. Accounts of Chemical Research. 45: 1203-14. PMID 22444488 DOI: 10.1021/Ar200292D  0.92
2012 Zhao H, Pierloot K, Langner EH, Swarts JC, Conradie J, Ghosh A. Low-energy states of manganese-oxo corrole and corrolazine: multiconfiguration reference ab initio calculations. Inorganic Chemistry. 51: 4002-6. PMID 22432719 DOI: 10.1021/Ic201972F  1
2012 Muller TJ, Conradie J, Erasmus E. A spectroscopic, electrochemical and DFT study of para-substituted ferrocene-containing chalcone derivatives: Structure of FcCOCHCH(p- tBuC6H4) Polyhedron. 33: 257-266. DOI: 10.1016/J.Poly.2011.11.034  0.92
2011 Thomas KE, Alemayehu AB, Conradie J, Beavers C, Ghosh A. Synthesis and molecular structure of gold triarylcorroles. Inorganic Chemistry. 50: 12844-51. PMID 22111600 DOI: 10.1021/Ic202023R  0.92
2011 Conradie MM, Conradie J. Methyl iodide oxidative addition to [Rh(acac)(CO)(PPh3)]: an experimental and theoretical study of the stereochemistry of the products and the reaction mechanism. Dalton Transactions (Cambridge, England : 2003). 40: 8226-37. PMID 21761056 DOI: 10.1039/C1Dt10271K  0.6
2011 Conradie J, Ghosh A. Correlation between the FeNO angle and d-p mixing in {FeNO}7 complexes. Inorganic Chemistry. 50: 4223-5. PMID 21491891 DOI: 10.1021/Ic102388C  1
2011 Conradie J, Swarts JC. Relationship between electrochemical potentials and substitution reaction rates of ferrocene-containing β-diketonato rhodium(I) complexes; cytotoxicity of [Rh(FcCOCHCOPh)(cod)]. Dalton Transactions (Cambridge, England : 2003). 40: 5844-51. PMID 21423964 DOI: 10.1039/C1Dt00013F  0.52
2011 Thomas KE, Conradie J, Hansen LK, Ghosh A. Corroles cannot ruffle. Inorganic Chemistry. 50: 3247-51. PMID 21366225 DOI: 10.1021/Ic1017032  0.92
2011 Conradie MM, Conradie J, Ghosh A. Capturing the spin state diversity of iron(III)-aryl porphyrins: OLYP is better than TPSSh. Journal of Inorganic Biochemistry. 105: 84-91. PMID 21134606 DOI: 10.1016/J.Jinorgbio.2010.09.010  1
2011 Thomas KE, Conradie J, Hansen LK, Ghosh A. A metallocorrole with orthogonal pyrrole rings European Journal of Inorganic Chemistry. 1865-1870. DOI: 10.1002/Ejic.201100170  0.92
2010 Conradie J, Hopmann KH, Ghosh A. Understanding the unusually straight: a search for MO insights into linear {FeNO}(7) units. The Journal of Physical Chemistry. B. 114: 8517-24. PMID 20536203 DOI: 10.1021/Jp101847Y  1
2010 Tangen E, Conradie J, Franz K, Friedle S, Telser J, Lippard SJ, Ghosh A. Electronic structure of a paramagnetic {MNO}6 complex: MnNO 5,5-tropocoronand Inorganic Chemistry. 49: 2701-2705. PMID 20166686 DOI: 10.1021/Ic901860X  0.92
2010 Patra AK, Dube KS, Papaefthymiou GC, Conradie J, Ghosh A, Harrop TC. Stable eight-coordinate iron(III/II) complexes. Inorganic Chemistry. 49: 2032-4. PMID 20108928 DOI: 10.1021/Ic1001336  0.92
2010 Conradie J, Ghosh A. Electronic structure of an iron-porphyrin-nitrene complex. Inorganic Chemistry. 49: 243-8. PMID 19994873 DOI: 10.1021/Ic901897W  1
2009 Hopmann KH, Conradie J, Ghosh A. Broken-symmetry DFT spin densities of iron nitrosyls, including Roussin's red and black salts: striking differences between pure and hybrid functionals. The Journal of Physical Chemistry. B. 113: 10540-7. PMID 19719290 DOI: 10.1021/Jp904135H  1
2009 Goetz BI, Wang P, Shields HW, Basu S, Grubina R, Huang J, Conradie J, Huang Z, Jeffers A, Jiang A, He X, Azarov I, Seibert R, Mehta A, Patel R, et al. Reply to 'Nitrite-methemoglobin inadequate for hypoxic vasodilation' Nature Chemical Biology. 5: 367. DOI: 10.1038/Nchembio0609-367  0.92
2008 Conradie J, Ghosh A. Bonding in Low-Coordinate Environments: Electronic Structure of Distorted Square-Planar Iron-Imido Complexes With Pincer-Type Ligands. Journal of Chemical Theory and Computation. 4: 1576-84. PMID 26620163 DOI: 10.1021/Ct800118C  1
2008 Roos BO, Veryazov V, Conradie J, Taylor PR, Ghosh A. Not innocent: verdict from ab initio multiconfigurational second-order perturbation theory on the electronic structure of chloroiron corrole. The Journal of Physical Chemistry. B. 112: 14099-102. PMID 18950087 DOI: 10.1021/Jp807734X  0.92
2008 Albrett AM, Conradie J, Ghosh A, Brothers PJ. DFT survey of monoboron and diboron corroles: regio- and stereochemical preferences for a constrained, low-symmetry macrocycle. Dalton Transactions (Cambridge, England : 2003). 4464-73. PMID 18698450 DOI: 10.1039/B718755F  1
2008 Albrett AM, Conradie J, Boyd PD, Clark GR, Ghosh A, Brothers PJ. Corrole as a binucleating ligand: preparation, molecular structure and density functional theory study of diboron corroles. Journal of the American Chemical Society. 130: 2888-9. PMID 18278914 DOI: 10.1021/Ja077785U  0.92
2008 von Eschwege KG, Conradie J, Swarts JC. A DFT perspective on the structures and electronic spectra of the orange and blue isomers of photochromic dithizonatophenylmercury(II). The Journal of Physical Chemistry. A. 112: 2211-8. PMID 18275168 DOI: 10.1021/Jp076924R  0.52
2008 Conradie J, Wondimagegn T, Ghosh A. Spin states at a tipping point: what determines the dz2(1) ground state of nickel(III) tetra(tbutyl)porphyrin dicyanide? The Journal of Physical Chemistry. B. 112: 1053-6. PMID 18177034 DOI: 10.1021/Jp709980Y  1
2007 Tangen E, Conradie J, Ghosh A. Bonding in Low-Coordinate Environments:  Electronic Structure of Pseudotetrahedral Iron-Imido Complexes. Journal of Chemical Theory and Computation. 3: 448-57. PMID 26637027 DOI: 10.1021/Ct600318N  1
2007 Conradie J, Ghosh A. Electronic Structure of Trigonal-Planar Transition-Metal-Imido Complexes:  Spin-State Energetics, Spin-Density Profiles, and the Remarkable Performance of the OLYP Functional. Journal of Chemical Theory and Computation. 3: 689-702. PMID 26627386 DOI: 10.1021/Ct600337J  1
2007 Basu S, Grubina R, Huang J, Conradie J, Huang Z, Jeffers A, Jiang A, He X, Azarov I, Seibert R, Mehta A, Patel R, King SB, Hogg N, Ghosh A, et al. Catalytic generation of N2O3 by the concerted nitrite reductase and anhydrase activity of hemoglobin. Nature Chemical Biology. 3: 785-94. PMID 17982448 DOI: 10.1038/Nchembio.2007.46  1
2007 Conradie J, Ghosh A. DFT calculations on the spin-crossover complex Fe(salen)(NO): a quest for the best functional. The Journal of Physical Chemistry. B. 111: 12621-4. PMID 17935317 DOI: 10.1021/Jp074480T  1
2007 Conradie J, Quarless DA, Hsu HF, Harrop TC, Lippard SJ, Koch SA, Ghosh A. Electronic structure and FeNO conformation of nonheme iron-thiolate-NO complexes: an experimental and DFT study. Journal of the American Chemical Society. 129: 10446-56. PMID 17685516 DOI: 10.1021/Ja0719982  0.92
2007 Erasmus E, Conradie J, Muller A, Swarts JC. Synthesis, crystal structure and electrochemistry of tetrahedral mono-β-diketonato titanocenyl complexes Inorganica Chimica Acta. 360: 2277-2283. DOI: 10.1016/J.Ica.2006.11.010  0.92
2006 Conradie J, Ghosh A. When being straight bends rules: a rationale for the linear FeNO unit in the low-spin square-pyramidal {FeNO}7 tetracyanonitrosylferrate(2-) anion. Journal of Inorganic Biochemistry. 100: 2069-73. PMID 17081612 DOI: 10.1016/J.Jinorgbio.2006.09.016  1
2006 Conradie J, Ghosh A. Iron(III)-nitro porphyrins: theoretical exploration of a unique class of reactive molecules. Inorganic Chemistry. 45: 4902-9. PMID 16780310 DOI: 10.1021/Ic060362T  1
2006 Conradie J, Tangen E, Ghosh A. Trigonal bipyramidal iron(III) and manganese(III) oxo, sulfido, and selenido complexes. An electronic-structural overview. Journal of Inorganic Biochemistry. 100: 707-15. PMID 16510188 DOI: 10.1016/J.Jinorgbio.2006.01.029  1
2006 Conradie J, Wasbotten I, Ghosh A. Electronic ménages a trois: a molecular orbital perspective of protonated ferryl intermediates and synthetic models. Journal of Inorganic Biochemistry. 100: 502-6. PMID 16504302 DOI: 10.1016/J.Jinorgbio.2006.01.027  1
2006 Conradie MM, Conradie J, Ghosh A. A DFT overview of high-valent iron, cobalt and nickel tetraamidomacrocyclic ligand (TAML) complexes: the end of innocence? Journal of Inorganic Biochemistry. 100: 620-6. PMID 16504297 DOI: 10.1016/J.Jinorgbio.2006.01.028  1
2005 Tangen E, Conradie J, Ghosh A. The challenge of being straight: explaining the linearity of a low-spin [FeNO]7 unit in a tropocoronand complex. Inorganic Chemistry. 44: 8699-706. PMID 16296823 DOI: 10.1021/Ic050781A  1
2005 Tangen E, Conradie J, Svadberg A, Ghosh A. Understanding the unexpected linearity of the trans-{Mn(NO)2}8 unit in a phthalocyanine complex: some thoughts on dinitrosylheme intermediates in biology. Journal of Inorganic Biochemistry. 99: 55-9. PMID 15598491 DOI: 10.1016/J.Jinorgbio.2004.10.010  1
2003 Conradie J, Wondimagegn T, Ghosh A. Molecular structure and conformation of dinitrosylheme. Journal of the American Chemical Society. 125: 4968-9. PMID 12708833 DOI: 10.1021/Ja021439P  1
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