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Faraj Hasanayn, Ph.D. - Publications

Affiliations: 
Chemistry American University of Beirut, Bayrut, Beirut Governorate, Lebanon 
Area:
Computational chemistry, organometallic chemistry, catalysis
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34 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
2023 McMillion ND, Bruch QJ, Chen CH, Hasanayn F, Miller AJM. Synthesis and bonding analysis of pentagonal bipyramidal rhenium carboxamide oxo complexes. Dalton Transactions (Cambridge, England : 2003). 52: 15115-15123. PMID 37814941 DOI: 10.1039/d3dt02617e  0.36
2023 Bhatti TM, Kumar A, Parihar A, Moncy HK, Emge TJ, Waldie KM, Hasanayn F, Goldman AS. Metal-Ligand Proton Tautomerism, Electron Transfer, and C(sp)-H Activation by a 4-Pyridinyl-Pincer Iridium Hydride Complex. Journal of the American Chemical Society. 145: 18296-18306. PMID 37552857 DOI: 10.1021/jacs.3c03376  0.656
2023 Hasanayn F, Holland PL, Goldman AS, Miller AJM. Lewis Structures and the Bonding Classification of End-on Bridging Dinitrogen Transition Metal Complexes. Journal of the American Chemical Society. PMID 36796367 DOI: 10.1021/jacs.2c12243  0.601
2022 Espinosa MR, Ertem MZ, Barakat M, Bruch QJ, Deziel AP, Elsby MR, Hasanayn F, Hazari N, Miller AJM, Pecoraro MV, Smith AM, Smith NE. Correlating Thermodynamic and Kinetic Hydricities of Rhenium Hydrides. Journal of the American Chemical Society. PMID 36130605 DOI: 10.1021/jacs.2c07192  0.315
2022 Gordon BM, Lease N, Emge TJ, Hasanayn F, Goldman AS. Reactivity of Iridium Complexes of a Triphosphorus-Pincer Ligand Based on a Secondary Phosphine. Catalytic Alkane Dehydrogenation and the Origin of Extremely High Activity. Journal of the American Chemical Society. PMID 35224972 DOI: 10.1021/jacs.1c13309  0.586
2021 Yamout LS, Ataya M, Hasanayn F, Holland PL, Miller AJM, Goldman AS. Understanding Terminal versus Bridging End-on N Coordination in Transition Metal Complexes. Journal of the American Chemical Society. PMID 34180663 DOI: 10.1021/jacs.1c01146  0.679
2021 Ataya M, Hasanayn F. Calculations on the non-classical β-hydride elimination observed in trans-(H)(OMe)-Ir(Ph)(PMe3)3: possible production and reaction of methyl formate Canadian Journal of Chemistry. 99: 236-244. DOI: 10.1139/cjc-2020-0313  0.435
2020 Lu YJ, Zhang X, Malakar S, Krogh-Jespersen K, Hasanayn F, Goldman AS. Formation of Enamines via Catalytic Dehydrogenation by Pincer-Iridium Complexes. The Journal of Organic Chemistry. PMID 31990556 DOI: 10.1021/Acs.Joc.9B02846  0.728
2020 Bruch QJ, Connor GP, McMillion N, Goldman AS, Hasanayn F, Holland PL, Miller AJM. Considering Electrocatalytic Ammonia Synthesis via Bimetallic Dinitrogen Cleavage Acs Catalysis. DOI: 10.1021/Acscatal.0C02606  0.518
2020 Mallah J, Ataya M, Hasanayn F. Dimerization of Aldehydes into Esters by an Octahedral d6-Rhodium cis-Dihydride Catalyst: Inner- versus Outer-Sphere Mechanisms Organometallics. 39: 286-294. DOI: 10.1021/Acs.Organomet.9B00622  0.477
2019 Bruch QJ, Connor GP, Chen CH, Holland PL, Mayer JM, Hasanayn F, Miller AJM. Dinitrogen Reduction to Ammonium at Rhenium Utilizing Light and Proton-Coupled Electron Transfer. Journal of the American Chemical Society. PMID 31751134 DOI: 10.1021/Jacs.9B10031  0.438
2018 Omar BS, Mallah J, Ataya M, Li B, Zhou X, Malakar S, Goldman AS, Hasanayn F. H Addition to Pincer Iridium Complexes Yielding trans-Dihydride Products: Unexpected Correlations of Bond Strength with Bond Length and Vibrational Frequencies. Inorganic Chemistry. PMID 29894175 DOI: 10.1021/Acs.Inorgchem.7B03086  0.669
2018 Lease N, Pelczar EM, Zhou T, Malakar S, Emge TJ, Hasanayn F, Krogh-Jespersen K, Goldman AS. PNP-Pincer Complexes of Osmium: Comparison with Isoelectronic (PCP)Ir and (PNP)Ir+Units Organometallics. 37: 314-326. DOI: 10.1021/Acs.Organomet.7B00738  0.716
2017 Yempally V, Moncho S, Hasanayn F, Fan WY, Brothers EN, Bengali AA. Ancillary Ligand Effects upon the Photochemistry of Mn(bpy)(CO)3X Complexes (X = Br(-), PhCC(-)). Inorganic Chemistry. PMID 28872840 DOI: 10.1021/Acs.Inorgchem.7B01543  0.393
2017 Lindley BM, Bruch QJ, White PS, Hasanayn F, Miller AJ. Ammonia Synthesis from a Pincer Ruthenium Nitride via Metal-Ligand Cooperative Proton-Coupled Electron Transfer. Journal of the American Chemical Society. PMID 28383261 DOI: 10.1021/Jacs.7B01323  0.48
2016 Hasanayn F, Al-Assi LM, Moussawi RN, Omar BS. Mechanism of Alcohol-Water Dehydrogenative Coupling into Carboxylic Acid Using Milstein's Catalyst: A Detailed Investigation of the Outer-Sphere PES in the Reaction of Aldehydes with an Octahedral Ruthenium Hydroxide. Inorganic Chemistry. PMID 27467132 DOI: 10.1021/Acs.Inorgchem.6B00766  0.528
2014 Baroudi A, El-Hellani A, Bengali AA, Goldman AS, Hasanayn F. Calculation of ionization energy, electron affinity, and hydride affinity trends in pincer-ligated d(8)-Ir((tBu4)PXCXP) complexes: implications for the thermodynamics of oxidative H2 addition. Inorganic Chemistry. 53: 12348-59. PMID 25406031 DOI: 10.1021/Ic5015829  0.671
2014 Hasanayn F, Harb H. A metathesis model for the dehydrogenative coupling of amines with alcohols and esters into carboxamides by Milstein's [Ru(PNN)(CO)(H)] catalysts. Inorganic Chemistry. 53: 8334-49. PMID 25079590 DOI: 10.1021/Ic500743U  0.444
2013 Hasanayn F, Baroudi A, Bengali AA, Goldman AS. Hydrogenation of dimethyl carbonate to methanol by trans -[Ru(H) 2(PNN)(CO)] catalysts: DFT evidence for ion-pair-mediated metathesis paths for C-OMe bond cleavage Organometallics. 32: 6969-6985. DOI: 10.1021/Om4005127  0.68
2013 Hasanayn F, Baroudi A. Direct H/OR and OR/OR′ metathesis pathways in ester hydrogenation and transesterification by Milstein's catalyst Organometallics. 32: 2493-2496. DOI: 10.1021/Om400122N  0.458
2012 Hasanayn F, Morris RH. Symmetry aspects of H2 splitting by five-coordinate d6 ruthenium amides, and calculations on acetophenone hydrogenation, ruthenium alkoxide formation, and subsequent hydrogenolysis in a model trans-Ru(H)2(diamine)(diphosphine) system. Inorganic Chemistry. 51: 10808-18. PMID 23031090 DOI: 10.1021/Ic301233J  0.525
2012 Hasanayn F, Achord P, Braunstein P, Magnier HJ, Krogh-Jespersen K, Goldman AS. Theoretical structure-reactivity study of ethylene insertion into nickel-alkyl bonds. A kinetically significant and unanticipated role of trans influence in determining agostic bond strengths Organometallics. 31: 4680-4692. DOI: 10.1021/Om300001N  0.744
2012 Hasanayn F, Morris RH. Symmetry aspects of H 2 splitting by five-coordinate d 6 ruthenium amides, and calculations on acetophenone hydrogenation, ruthenium alkoxide formation, and subsequent hydrogenolysis in a model trans -Ru(H) 2(diamine)(diphosphine) system Inorganic Chemistry. 51: 10808-10818. DOI: 10.1021/ic301233j  0.377
2010 Hasanayn F, Abu-el-Ez D. Calculation of dramatic differences in the activation energy of phenyl migratory insertion in the isomers of [Rh(PMe3)2Cl(CO)(Ph)H]: important effects from both the ligand trans to Ph and the ligand trans to CO. Inorganic Chemistry. 49: 9162-8. PMID 20866051 DOI: 10.1021/Ic100198U  0.469
2009 Hasanayn F, El-Makkaoui MS. DFT Study of the Transition States and Products of Methyl Radical Addition to Olefins Coordinated in an Asymmetrical Mode to [Cp2Zr(OtBu)]+: Predictions of Reversed Regioselectivities Compared to the Noncoordinated Reactions Organometallics. 28: 6469-6479. DOI: 10.1021/Om900656T  0.449
2009 Gray TC, Hasanayn F, Richardson DP, Markgraf JH. Regioselectivity of a 1,3-dipolar cycloaddition to phenyl vinyl sulfoxide Journal of Heterocyclic Chemistry. 46: 1318-1323. DOI: 10.1002/Jhet.286  0.39
2008 Streitwieser A, Jayasree EG, Hasanayn F, Leung SS. A theoretical study of S(N)2' reactions of allylic halides: role of ion pairs. The Journal of Organic Chemistry. 73: 9426-34. PMID 18973381 DOI: 10.1021/Jo8020743  0.384
2008 Hasanayn F, Nsouli NH, Al-Ayoubi A, Goldman AS. Addition of alkyl radicals to transition-metal-coordinated CO: calculation of the reaction of [Ru(CO)5] and related complexes and relevance to alkane carbonylation. Journal of the American Chemical Society. 130: 511-21. PMID 18081278 DOI: 10.1021/Ja072704F  0.655
2008 Hasanayn F, Gozem S. Calculations on the Kinetics, Thermodynamics, and Selectivity of Methyl Radical Addition to Olefins Coordinated to d8 and d0 Transition-Metal Fragments: Two Distinct and Opposite anti-Evans−Polanyi Effects with Potential Practical Implications Organometallics. 27: 5426-5429. DOI: 10.1021/Om8007212  0.394
2008 Nsouli NH, Mouawad I, Hasanayn F. DFT Study of the Products, Potential Energy Surface, and Substituent Effects for Methyl Radical Addition to [Rh(PMe3)2(CO)X] (X = Halogen or CN) Organometallics. 27: 2004-2012. DOI: 10.1021/Om701079M  0.431
2007 Streitwieser A, Liang JC, Jayasree EG, Hasanayn F. Evaluation of Two Computational Models Based on Different Effective Core Potentials for Use in Organocesium Chemistry. Journal of Chemical Theory and Computation. 3: 127-31. PMID 26627158 DOI: 10.1021/ct600238v  0.643
2005 Streitwieser A, McKeown AE, Hasanayn F, Davis NR. Basicity of some phosphines in THF. Organic Letters. 7: 1259-62. PMID 15787481 DOI: 10.1021/Ol047315U  0.684
2005 Hasanayn F, Streitwieser A, Al-Rifai R. A computational study of the effect of bending on secondary kinetic isotope effects in SN2 transition states. Journal of the American Chemical Society. 127: 2249-55. PMID 15713103 DOI: 10.1021/Ja0487978  0.69
2004 Hasanayn F, Markarian MZ, Al-Rifai R. DFT study of the geometry and energy order of the low singlet and triplet states of [d4-eta5-CpMo(CO)2X] 16-electron complexes (X = halogen, CN, H, and CH3). Inorganic Chemistry. 43: 3691-6. PMID 15180424 DOI: 10.1021/Ic0354973  0.352
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