Items where Author is "Ariafard, A"

Abdolalian, P, Tizhoush, SK, Farshadfar, K and Ariafard, A

2021 , 'The role of hypervalent iodine(iii) reagents in promoting alkoxylation of unactivated C(sp3)-H bonds catalyzed by palladium(ii) complexes' , Chemical Science, vol. 12, no. 20 , pp. 7185-7195 , doi: 10.1039/d1sc01230d.

Asgari, M, Hyland, CJT, Hashmi, ASK, Yates, BF

and Ariafard, A

2019 , 'Proton supplier role of binuclear gold complexes in promoting hydrofunctionalisation of nonactivated alkenes' , Catalysis Science & Technology, vol. 9 , 1420–1426 , doi: 10.1039/c8cy02482k.

Babaahmadi, R, Jalali, M, Smith, JA

, Yates, BF

and Ariafard, A

2020 , 'How a bismuth(III) catalyst achieves greatest activation of organic Lewis bases in a catalytic reaction: insights from DFT calculations' , ChemCatChem , pp. 1-7 , doi: 10.1002/cctc.202001688.

Camasso, NM, Canty, AJ, Ariafard, A

and Sanford, MS 2017 , 'Experimental and computational studies of high-valent nickel and palladium complexes' , Organometallics, vol. 36, no. 22 , 4382–4393 , doi: 10.1021/acs.organomet.7b00613.

Canty, AJ and Ariafard, A

2021 , 'Computational study of intramolecular coordination enhanced oxidative addition to form PdIV-pincer complexes, and selectivity in aryloxide attack at PdIVCH2CRR′ motifs in palladium-mediated organic synthesis' , Organometallics, vol. 40, no. 9 , pp. 1262-1269 , doi: 10.1021/acs.organomet.1c00058.

Canty, AJ and Ariafard, A

2017 , 'Computational study of selectivity in the [PtIICl4]2−-catalysed arylation of arenes by diaryliodonium reagents: arene activation at PtIV centres' , Dalton Transactions, vol. 46 , pp. 15480-15486 , doi: 10.1039/c7dt03602g.

Canty, AJ and Ariafard, A

2018 , 'DFT studies of isomerization in palladium(IV) chemistry and alkyl halide transfer from palladium(IV) to palladium(II)' , Journal of Organometallic Chemistry, vol. 872 , pp. 110-113 , doi: 10.1016/j.jorganchem.2018.07.036.

Canty, AJ and Ariafard, A

2021 , 'Two-stage catalysis in the Pd-catalyzed formation of 2,2,2-trifluoroethyl-substituted acrylamides: oxidative alkylation of PdII by an IIII reagent and roles for acetate, triflate, and triflic acid' , Organometallics, vol. 41, no. 3 , pp. 293-300 , doi: 10.1021/acs.organomet.1c00644.

Canty, AJ and Ariafard, A

2021 , 'Two-stage catalysis in the Pd-catalyzed formation of 2,2,2-trifluoroethyl-substituted acrylamides: oxidative alkylation of PdII by an IIII reagent and roles for acetate, triflate, and triflic acid' , Organometallics, vol. 41, no. 3 , pp. 293-300 , doi: 10.1021/acs.organomet.1c00644.

Canty, AJ, Ariafard, A

, Camasso, NM, Higgs, AT, Yates, BF

and Sanford, MS 2017 , 'Computational study of C(sp3)-O bond formation at a PdIV centre' , Dalton Transactions, vol. 46, no. 11 , pp. 3742-3748 , doi: 10.1039/c7dt00096k.

Canty, AJ, Ariafard, A

and Puddephatt, RJ 2020 , 'DFT studies of two-electron oxidation, photochemistry, and radical transfer between metal centres in the formation of platinum(iv) and palladium(iv) selenolates from diphenyldiselenide and metal(ii) reactants' , Dalton Transactions, vol. 49, no. 39 , pp. 13566-13572 , doi: 10.1039/d0dt02978e.

Canty, AJ, Ariafard, A

and van Koten, G 2020 , 'Computational analysis of mesomerism in para-substituted mer-NCN pincer platinum(II) complexes, including its relationships with Hammett σp substituent parameters' , Chemistry - A European Journal, vol. 26, no. 67 , pp. 15629-15635 , doi: 10.1002/chem.202003023.

Cervantes-Reyes, A, Farshadfar, K, Rudolph, M, Rominger, F, Schaub, T, Ariafard, A

and Hashmi, ASK 2021 , 'Copper-catalysed synthesis of alpha-alkylidene cyclic carbonates from propargylic alcohols and CO2' , Green Chemistry, vol. 23, no. 2 , pp. 889-897 , doi: 10.1039/d0gc03990j.

Chen, X, Zhou, Y, Jin, J, Farshadfar, K, Ariafard, A

, Rao, W and Chan, PWH 2019 , 'Gold catalyzed cyclopropanation/[5+3] cycloaddition of 1,4,9- and 1,4,10-allenenynes to bicyclo[3.3.1]nonane derivatives' , Advanced Synthesis and Catalysis , pp. 1-13 , doi: 10.1002/adsc.201901263.

Chipman, A, Farshadfar, K, Smith, JA

, Yates, BF

and Ariafard, A

2019 , 'DFT-based comparison between mechanistic aspects of amine and alcohol oxidation mediated by IBX' , Journal of Organic Chemistry, vol. 85, no. 2 , pp. 515-525 , doi: 10.1021/acs.joc.9b02583.

Chipman, A, Gouranourimi, A

, Farshadfar, K, Olding, A, Yates, BF

and Ariafard, A

2018 , 'A computational mechanistic investigation into reduction of gold(III) complexes by amino acid glycine: a new variant for amine oxidation' , Chemistry A European Journal, vol. 24, no. 33 , pp. 8361-8368 , doi: 10.1002/chem.201800403.

Chipman, A, Yates, BF

, Canty, AJ and Ariafard, A

2018 , 'Reduction of a platinum(IV) prodrug model by sulfur containing biological reductants: computational mechanistic elucidation' , Chemical Communications, vol. 54 , pp. 10491-10494 , doi: 10.1039/c8cc05682j.

Chong, E, Kampf, JW, Ariafard, A

, Canty, AJ and Sanford, MS 2017 , 'Oxidatively induced C-H activation at high valent nickel' , Journal of the American Chemical Society, vol. 139, no. 17 , pp. 6058-6061 , doi: 10.1021/jacs.7b02387.

Dasgupta, A, Babaahmadi, R, Pahar, S, Stefkova, K, Gierlichs, L, Yates, BF

, Ariafard, A

and Melen, RL 2021 , 'Tris(pentafluorophenyl)borane-catalyzed carbenium ion generation and autocatalytic pyrazole synthesis - a computational and experimental study' , Angewandte Chemie - International Edition, vol. 60, no. 46 , pp. 24395-24399 , doi: 10.1002/anie.202109744.

Dasgupta, A, Babaahmadi, R, Slater, B, Yates, BF

, Ariafard, A

and Melen, RL 2020 , 'Borane-catalyzed stereoselective C–H Insertion, cyclopropanation, and ring-opening reactions' , Chem, vol. 6, no. 9 , pp. 2364-2381 , doi: 10.1016/j.chempr.2020.06.035.

Dasgupta, A, Pahar, S, Babaahmadi, R, Gierlichs, L, Yates, BF

, Ariafard, A

and Melen, RL 2022 , 'Borane catalyzed selective diazo cross-coupling towards pyrazoles' , Advanced Synthesis and Catalysis, vol. 364, no. 4 , pp. 773-780 , doi: 10.1002/adsc.202101312.

Dasgupta, A, Stefkova, K, Babaahmadi, R, Gierlichs, L, Ariafard, A

and Melen, RL 2020 , 'Triarylborane-catalyzed alkenylation reactions of aryl esters with diazo compounds' , Angewandte Chemie, vol. 59, no. 36 , pp. 15492-15496 , doi: 10.1002/anie.202007176.

Dasgupta, A, Stefkova, K, Babaahmadi, R, Yates, BF

, Buurma, N, Ariafard, A

, Richards, E and Melen, RL 2021 , 'Site-selective Csp3–Csp/Csp3–Csp2 cross-coupling reactions using frustrated Lewis pairs' , Journal of the American Chemical Society, vol. 143, no. 11 , pp. 4451-4464 , doi: 10.1021/jacs.1c01622.

Ejehi, Z and Ariafard, A

2017 , 'A computational mechanistic investigation into the reduction of Pt(IV) prodrugs with two axial chlorides by biological reductants' , Chemical Communications, vol. 53, no. 8 , pp. 1413-1416 , doi: 10.1039/c6cc07834f.

Fard, ST, Sekine, K, Farshadfar, K, Rominger, F, Rudolph, M, Ariafard, A

and Hashmi, ASK 2021 , 'Gold-catalyzed annulation of 1,8-dialkynylnaphthalenes: synthesis and photoelectric properties of indenophenalene-based derivatives' , Chemistry - A European Journal, vol. 27, no. 10 , pp. 3552-3559 , doi: 10.1002/chem.202004846.

Farshadfar, K, Abdolalian, P and Ariafard, A

2020 , 'Catalytic role of Lewis acids in ArIO-mediated oxidative fluorination reactions revealed by DFT calculations' , European Journal of Organic Chemistry, vol. 2020, no. 15 , pp. 2251-2259 , doi: 10.1002/ejoc.202000217.

Farshadfar, K and Ariafard, A

2021 , 'Catalytic role of amines in activation of PhICl2 from a computational point of view' , Chemical Communications, vol. 57, no. 72 , pp. 9108-9111 , doi: 10.1039/d1cc03618a.

Farshadfar, K, Bird, MJ, Olivier, WJ

, Hyland, CJT, Smith, JA

and Ariafard, A

2021 , 'Computational investigation into the mechanistic features of bromide-catalyzed alcohol oxidation by PhIO in water' , Journal of Organic Chemistry, vol. 86, no. 3 , pp. 2998-3007 , doi: 10.1021/acs.joc.0c02903.

Farshadfar, K, Chipman, A, Hosseini, M, Yates, BF

and Ariafard, A

2019 , 'A modified cationic mechanism for PdCl2-catalyzed transformation of a homoallylic alcohol to an allyl ether' , Organometallics, vol. 38, no. 15 , pp. 2953-2962 , doi: 10.1021/acs.organomet.9b00276.

Farshadfar, K, Chipman, A, Yates, BF

and Ariafard, A

2019 , 'DFT Mechanistic Investigation into BF3-Catalyzed Alcohol Oxidation by a Hypervalent Iodine(III) Compound' , ACS Catalysis, vol. 9, no. 7 , pp. 6510-6521 , doi: 10.1021/acscatal.9b01599.

Farshadfar, K, Gouranourimi, A and Ariafard, A

2020 , 'How the combination of PhIO and I2 provides a species responsible for conducting organic reactions through radical mechanisms' , Organic & Biomolecular Chemistry, vol. 18 , pp. 8103-8108 , doi: 10.1039/d0ob01705a.

Ganji, B and Ariafard, A

2019 , 'DFT mechanistic investigation into phenol dearomatization mediated by an iodine(III) reagent' , Organic & Biomolecular Chemistry, vol. 17 , 3521–3528 , doi: 10.1039/c9ob00028c.

Ghari, H, Li, Y, Roohzadeh, R, Caramenti, P, Waser, J and Ariafard, A

2017 , 'Gold-catalyzed domino cyclization-alkynylation reactions with EBX reagents: new insights into the reaction mechanism' , Dalton Transactions, vol. 46, no. 36 , pp. 12257-12262 , doi: 10.1039/c7dt03154h.

Golshani, M, Khoobi, M, Jalalimanesh, N, Jafarpour, F and Ariafard, A

2017 , 'A transition-metal-free fast track to flavones and 3-arylcoumarins' , Chemical Communications, vol. 53, no. 77 , pp. 10676-10679 , doi: 10.1039/c7cc02107k.

Gouranourimi, A

, Chipman, A, Babaahmadi, R, Olding, A, Yates, BF

and Ariafard, A

2018 , 'Nazarov cyclisations initiated by DDQ-oxidised pentadienyl ether: a mechanistic investigation from the DFT perspective' , Organic & Biomolecular Chemistry, vol. 16, no. 46 , 9021–9029 , doi: 10.1039/c8ob02590h.

Ho, CC

, Ariafard, A

, Hyland, CJT and Bissember, AC

2019 , 'Phosphine-scavenging cationic gold(I) complexes: alternative applications of gold cocatalysis in fundamental palladium-catalyzed cross-couplings' , Organometallics, vol. 38, no. 13 , pp. 2683-2688 , doi: 10.1021/acs.organomet.9b00294.

Hu, C, Farshadfar, K, Dietl, MC, Cervantes-Reyes, A, Wang, T, Adak, T, Rudolph, M, Rominger, F, Li, J, Ariafard, A

and Hashmi, ASK 2021 , 'Gold-catalyzed [5,5]-rearrangement' , ACS Catalysis, vol. 11, no. 11 , pp. 6510-6518 , doi: 10.1021/acscatal.1c01108.

Jalali, M, Bissember, AC

, Yates, BF

, Wengryniuk, SE and Ariafard, A

2021 , 'Oxidation of electron-deficient phenols mediated by hypervalent iodine(V) reagents: fundamental mechanistic features revealed by a density functional theory-based investigation' , Journal of Organic Chemistry, vol. 86, no. 17 , pp. 12237-12246 , doi: 10.1021/acs.joc.1c01545.

Jalali, M, Ho, CC

, Fuller, RO

, Lucas, NT, Ariafard, A

and Bissember, AC

2021 , 'Photochemical activation of a hydroxyquinone-derived phenyliodonium ylide by visible light: synthetic and mechanistic investigations' , Journal of Organic Chemistry, vol. 86, no. 2 , pp. 1758-1768 , doi: 10.1021/acs.joc.0c02592.

Jalali, M, Hyland, CJT, Bissember, AC

, Yates, BF

and Ariafard, A

2021 , 'Hydroalkylation of alkenes with 1,3-diketones via gold(III) or silver(I) catalysis: divergent mechanistic pathways revealed by a DFT-based investigation' , ACS Catalysis, vol. 11, no. 9 , pp. 5795-5807 , doi: 10.1021/acscatal.0c05260.

Jalali, M, Shiri, F, Bissember, AC

, Yates, BF

and Ariafard, A

2022 , 'Bismuth(III)-catalysed hydroalkylation of styrene with acetylacetone: a DFT-Based mechanistic study' , Molecular Physics , pp. 1-15 , doi: 10.1080/00268976.2022.2093798.

Jin, J, Zhao, Y, Gouranourimi, A

, Ariafard, A

and Chan, PWH 2018 , 'Chiral Brønsted acid catalyzed enantioselective dehydrative Nazarov-type electrocyclization of aryl and 2‑thienyl vinyl alcohols' , Journal American Chemical Society, vol. 140, no. 17 , pp. 5834-5841 , doi: 10.1021/jacs.8b02339.

Jin, J, Zhao, Y, Kyne, SH, Farshadfar, K, Ariafard, A

and Chan, PWH 2021 , 'Copper(I)-catalysed site-selective C(sp3)-H bond chlorination of ketones, (E)-enones and alkylbenzenes by dichloramine-T' , Nature Communications, vol. 12, no. 1 , pp. 1-12 , doi: 10.1038/s41467-021-23988-y.

Jin, Q, Li, J, Ariafard, A, Canty, AJ and O'Hair, RAJ 2019 , 'Formation and reactions of the 1, 8-naphthyridine (napy) ligated geminally dimetallated phenyl complexes [(napy)Cu2(Ph)]+, [(napy)Ag2(Ph)]+ and [(napy)CuAg(Ph)]+' , European Journal of Mass Spectrometry, vol. 25, no. 1 , pp. 30-43 , doi: 10.1177/1469066718795959.

Jin, Q, Li, J, Ariafard, A, Canty, AJ and O'Hair, RAJ 2017 , 'Substituent effects in the decarboxylation reactions of coordinated arylcarboxylates in dinuclear copper complexes, [(napy)Cu2(O2CC6H4X)]+' , European Journal of Mass Spectrometry, vol. 23, no. 6 , pp. 351-358 , doi: 10.1177/1469066717729067.

Joyce, LM, Drew, MA, Tague, AJ, Thaima, T, Gouranourimi, A, Ariafard, A

, Pyne, SG and Hyland, CJT 2022 , 'A rare alder-ene cycloisomerization of 1,6-allenynes' , Chemistry - A European Journal, vol. 28, no. 12 , pp. 1-5 , doi: 10.1002/chem.202104022.

Kaur, A and Ariafard, A

2020 , 'Mechanistic investigation into phenol oxidation by IBX elucidated by DFT calculations' , Organic and Biomolecular Chemistry, vol. 18, no. 6 , pp. 1117-1129 , doi: 10.1039/c9ob02650a.

Khaledifard, Y, Nasiri, B, Javidy, SA, Sereshk, AV, Yates, BF

and Ariafard, A

2017 , 'Phosphine-scavenging role of gold(I) complexes from Pd(PtBu3)2 in the bimetallic catalysis of carbostannylation of alkynes' , Organometallics, vol. 36, no. 10 , pp. 2014-2019 , doi: 10.1021/acs.organomet.7b00237.

Lahiji, FK and Ariafard, A

2019 , 'Revisiting the mechanism of acetylenic amine N-Oxide rearrangement catalysed by Gold(I) complexes from a DFT perspective' , Journal of Organometallic Chemistry, vol. 889 , pp. 45-52 , doi: 10.1016/j.jorganchem.2019.03.011.

Meucci, EA, Ariafard, A

, Canty, AJ, Kampf, JW and Sanford, MS 2019 , 'Aryl–Fluoride Bond-Forming Reductive Elimination from Nickel(IV) Centers' , Journal of the American Chemical Society, vol. 141, no. 33 , pp. 13261-13267 , doi: 10.1021/jacs.9b06896.

Meucci, EA, Nguyen, SN, Camasso, NM, Chong, E, Ariafard, A

, Canty, AJ and Sanford, MS 2019 , 'Nickel(IV)-Catalyzed C–H Trifluoromethylation of (Hetero)arenes' , Journal of the American Chemical Society, vol. 141, no. 32 , 12872−12879 , doi: 10.1021/jacs.9b06383.

Noor, A, Li, J, Khairallah, GN, Li, Z, Ghari, H, Canty, AJ, Ariafard, A, Donnelly, PS and O'Hair, RAJ 2017 , 'A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates' , Chemical Communications, vol. 53, no. 27 , pp. 3854-3857 , doi: 10.1039/c7cc00865a.

Nori, V, Dasgupta, A, Babaahmadi, R, Carlone, A, Ariafard, A

and Melen, RL 2020 , 'Triarylborane catalysed N-alkylation of amines with aryl esters' , Catalysis Science & Technology, vol. 10 , 7523–7530 , doi: 10.1039/d0cy01339k.

Olivier, WJ, Babaahmadi, R, Lucas, N, Ariafard, A

, Bissember, AC

and Smith, JA

2021 , 'Exploring cyclization strategies to access stemona alkaloids: subtle effects influencing reactivity in intramolecular Michael additions' , Organic Letters, vol. 23, no. 21 , pp. 8494-8498 , doi: 10.1021/acs.orglett.1c03205.

Pflasterer, D, Rudolph, M, Yates, BF

, Ariafard, A

and Hashmi, ASK 2017 , 'Total synthesis of (±)-dihydroisosubamol' , Advanced Synthesis and Catalysis, vol. 359, no. 5 , 866–874 , doi: 10.1002/adsc.201600663.

Plajer, AJ, Ahrens, L, Wieteck, M, Lustosa, DM, Babaahmadi, R, Yates, B

, Ariafard, A

, Rudolph, M, Rominger, F and Hashmi, ASK 2018 , 'Different selectivities in the insertions into C(sp2)-H bonds: Benzofulvenes by Dual Gold catalysis competition experiment' , Chemistry A European Journal, vol. 24, no. 42 , pp. 10766-10772 , doi: 10.1002/chem.201801031.

Roberts, CC, Chong, E, Kampf, JW, Canty, AJ, Ariafard, A

and Sanford, MS 2019 , 'Nickel(II/IV) manifold enables room-temperature C(sp3)–H functionalization' , Journal of the American Chemical Society, vol. 141, no. 49 , pp. 19513-19520 , doi: 10.1021/jacs.9b11999.

Roohzadeh, R, Nasiri, B, Chipman, A, Yates, BF

and Ariafard, A

2019 , 'Disclosure of some obscure mechanistic aspects of the copper-catalyzed click reactions involving N2 elimination promoted by the use of electron-deficient azides from a DFT perspective' , Organometallics, vol. 38, no. 2 , pp. 256-267 , doi: 10.1021/acs.organomet.8b00691.

Tabatabaie, ES, Dehghanpour, S, Mosaddegh, E, Babaahmadi, R, Chipman, A, Yates, BF

and Ariafard, A

2019 , 'Rationale for the reactivity differences between main group and d\(^0\) transition metal complexes toward olefin polymerisation' , Dalton Transactions, vol. 48, no. 20 , pp. 6997-7005 , doi: 10.1039/c9dt01017c.

Tavakkolifard, S, Sekine, K, Reichert, L, Ebrahimi, M, Museridz, K, Michel, E, Rominger, F, Babaahmadi, R, Ariafard, A

, Yates, BF

, Rudolph, M and Hashmi, ASK 2019 , 'Gold-catalyzed regiospecific annulation of unsymmetrically substituted 1,5-diynes for the precise synthesis of bispentalenes' , Chemistry: A European Journal, vol. 25, no. 52 , pp. 12180-12186 , doi: 10.1002/chem.201902381.

Tian, X, Song, L, Farshadfar, K, Rudolph, M, Rominger, F, Oeser, T, Ariafard, A

and Hashmi, ASK 2020 , 'Acyl migration versus epoxidation in gold catalysis: facile, switchable, and atom-economic synthesis of acylindoles and quinoline derivatives' , Angewandte Chemie, vol. 59, no. 1 , pp. 471-478 , doi: 10.1002/anie.201912334.

Wierenga, TS, Vanston, CR, Ariafard, A

, Gardiner, MG

and Ho, CC

2019 , 'Accessing chelating extended linker bis(NHC) palladium(II) complexes: sterically triggered divergent reaction pathways' , Organometallics, vol. 38 , pp. 3032-3038 , doi: 10.1021/acs.organomet.9b00356.

Xiao, X, Roth, JM, Greenwood, NS, Velopolcek, MK, Aguirre, J, Jalali, M, Ariafard, A

and Wengryniuk, SE 2021 , 'Bidentate nitrogen-ligated I(V) reagents, Bi(N)-HVIs: preparation, stability, structure, and reactivity' , Journal of Organic Chemistry, vol. 86, no. 9 , pp. 6566-6576 , doi: 10.1021/acs.joc.1c00375.

Yang, Yang, Noor, A, Canty, AJ, Ariafard, A

, Donnelly, PS and O'Hair, RAJ 2019 , 'Synthesis of amidines by palladium-mediated CO2 extrusion followed by insertion of carbodiimides: translating mechanistic studies to develop a one-pot method' , Organometallics, vol. 38, no. 2 , pp. 424-435 , doi: 10.1021/acs.organomet.8b00776.

Zamani, F, Babaahmadi, R, Yates, BF

, Gardiner, MG

, Ariafard, A

, Pyne, SG and Hyland, CJT 2019 , 'Dual gold‐catalyzed cycloaromatization of unconjugated (E)‐enediynes' , Angewandte Chemie, vol. 58, no. 7 , 2114 –2119 , doi: 10.1002/anie.201810794.

Zarkoob, F and Ariafard, A

2019 , 'Mechanistic elucidation of gold(I)-catalyzed oxidation of a propargylic alcohol by a N-oxide in the presence of an imine using DFT calculations' , Organometallics, vol. 38, no. 2 , pp. 489-497 , doi: 10.1021/acs.organomet.8b00808.

Zavras, A, Ghari, H, Ariafard, A

, Canty, AJ and O'Hair, RAJ 2017 , 'Gas-phase ion-molecule reactions of copper hydride anions [CuH2]- and [Cu2H3]-' , Inorganic Chemistry, vol. 56, no. 5 , pp. 2387-2399 , doi: 10.1021/acs.inorgchem.6b02145.

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