eCite Digital Repository

Author: Ariafard, A (Associate Professor Alireza Ariafard)

Number of items: 59

Journal Article
Ejehi, Z and Ariafard, A, A computational mechanistic investigation into the reduction of Pt(IV) prodrugs with two axial chlorides by biological reductants, Chemical Communications, 53, (8) pp. 1413-1416. ISSN 1359-7345 (2017) [Refereed Article] 
Canty, AJ and Ariafard, A and Camasso, NM and Higgs, AT and Yates, BF and Sanford, MS, Computational study of C(sp3)-O bond formation at a PdIV centre, Dalton Transactions, 46, (11) pp. 3742-3748. ISSN 1477-9226 (2017) [Refereed Article] 
Canty, AJ and Ariafard, A, Computational study of selectivity in the [PtIICl4]2−-catalysed arylation of arenes by diaryliodonium reagents: arene activation at PtIV centres, Dalton Transactions, 46 pp. 15480-15486. ISSN 1477-9226 (2017) [Refereed Article]
Camasso, NM and Canty, AJ and Ariafard, A and Sanford, MS, Experimental and computational studies of high-valent nickel and palladium complexes, Organometallics, 36, (22) pp. 4382-4393. ISSN 0276-7333 (2017) [Refereed Article] 
Zavras, A and Ghari, H and Ariafard, A and Canty, AJ and O'Hair, RAJ, Gas-phase ion-molecule reactions of copper hydride anions [CuH2]- and [Cu2H3]-, Inorganic Chemistry, 56, (5) pp. 2387-2399. ISSN 0020-1669 (2017) [Refereed Article] 
Chong, E and Kampf, JW and Ariafard, A and Canty, AJ and Sanford, MS, Oxidatively induced C-H activation at high valent nickel, Journal of the American Chemical Society, 139, (17) pp. 6058-6061. ISSN 0002-7863 (2017) [Refereed Article] 
Bagi, AH and Khaledi, Y and Ghari, H and Arndt, S and Hashmi, ASK and Yates, BF and Ariafard, A, A Mechanistic Investigation of the Gold(III)-Catalyzed Hydrofurylation of C-C Multiple Bonds, Journal of the American Chemical Society, 138, (44) pp. 14599-14608. ISSN 0002-7863 (2016) [Refereed Article] 
Mehrabi, T and Ariafard, A, The different roles of a cationic gold(i) complex in catalysing hydroarylation of alkynes and alkenes with a heterocycle, Chemical Communications, 52, (60) pp. 9422-9425. ISSN 1359-7345 (2016) [Refereed Article] 
Ariafard, A and Ghari, H and Khaledi, Y and Bagi, AH and Wierenga, TS and Gardiner, MG and Canty, AJ, Theoretical investigation into the mechanism of cyanomethylation of aldehydes catalyzed by a nickel pincer complex in the absence of base additives, ACS Catalysis, 6, (1) pp. 60-68. ISSN 2155-5435 (2016) [Refereed Article] 
Younesi, Y and Nasiri, B and BabaAhmadi, R and Willans, CE and Fairlamb, IJS and Ariafard, A, Theoretical rationalisation for the mechanism of N-heterocyclic carbene-halide reductive elimination at CuIII, AgIII and AuIII, Chemical Communications, 52, (28) pp. 5057-5060. ISSN 1359-7345 (2016) [Refereed Article] 
Chapman, MR and Pask, CM and Ariafard, A and Willans, CE, σ-Alkenyl endo-palladacycle formation via regiospecific functionalisation of an unreactive NHC-tethered C(sp2)-H bond, Chemical Communications, 51, (25) pp. 5513-5515. ISSN 1359-7345 (2015) [Refereed Article] 
BabaAhmadi, R and Ghanbari, P and Rajabi, NA and Hashmi, ASK and Yates, BF and Ariafard, A, A theoretical study on the protodeauration step of the gold(I)-catalyzed organic reactions, Organometallics, 34, (13) pp. 3186-3195. ISSN 0276-7333 (2015) [Refereed Article] 
Canty, AJ and Ariafard, A and Yates, BF and Sanford, MS, Computational study of intramolecular arene palladation at a palladium(IV) center, Organometallics, 34, (6) pp. 1085-1090. ISSN 0276-7333 (2015) [Refereed Article] 
Mahdavi, M and Hassanzadeh-Soureshjan, R and Saeedi, M and Ariafard, A and BabaAhmadi, R and Ranjbar, PR and Shafiee, A, Experimental and computational evidence for KOt-Bu-promoted synthesis of oxopyrazino[1,2-a] indoles, RSC Advances, 5, (123) pp. 101353-101361. ISSN 2046-2069 (2015) [Refereed Article] 
Vikse, KL and Khairallah, GN and Ariafard, A and Canty, AJ and O'Hair, RAJ, Gas-phase and computational study of identical nickel- and palladium-mediated organic transformations where mechanisms proceeding via MII or MIV oxidation states are determined by ancillary ligands, Journal of the American Chemical Society, 137, (42) pp. 13588-13593. ISSN 0002-7863 (2015) [Refereed Article] 
Williams, TJ and Bray, JTW and Lake, BRM and Willans, CE and Rajabi, NA and Ariafard, A and Manzini, C and Bellina, F and Whitwood, AC and Fairlamb, IJS, Mechanistic elucidation of the arylation of non-spectator N-heterocyclic carbenes at copper using a combined experimental and computational approach, Organometallics, 34, (14) pp. 3497-3507. ISSN 0276-7333 (2015) [Refereed Article] 
Vikse, KL and Zavras, A and Thomas, TH and Ariafard, A and Khairallah, GN and Canty, AJ and Yates, BF and O'Hair, RAJ, Prying open a reactive site for allylic arylation by phosphine-ligated geminally diaurated aryl complexes, Organometallics, 34, (13) pp. 3255-3263. ISSN 0276-7333 (2015) [Refereed Article] 
Robinson Jr, R and Abbasi, KK and Ariafard, A and Stranger, R and Yates, BF, Sulfur dioxide activation: a theoretical investigation into dual S=O bond cleavage by three-coordinate molybdenum(III) complexes, Inorganic Chemistry, 54, (2) pp. 534-543. ISSN 0020-1669 (2015) [Refereed Article] 
Zavras, A and Ariafard, A and Khairallah, GN and White, JM and Mulder, RJ and Canty, AJ and O'Hair, RAJ, Synthesis, structure and gas-phase reactivity of the mixed silver hydride borohydride nanocluster [Ag33-H)(μ3-BH4)LPh3]BF4 (LPh = bis(diphenylphosphino)methane), Nanoscale, 7, (43) pp. 18129-18137. ISSN 2040-3364 (2015) [Refereed Article] 
Ariafard, A, A density functional theory (DFT) mechanistic study of gold(I)-catalyzed alkynylation of the indole and pyrrole substrates, using a hypervalent iodine reagent, ACS Catalysis, 4, (9) pp. 2896-2907. ISSN 2155-5435 (2014) [Refereed Article] 
Ariafard, A, Computational mechanistic study of palladium(II)-catalyzed carboxyalkynylation of an olefin using an iodine(III) oxidant reagent, Organometallics, 33, (24) pp. 7318-7324. ISSN 0276-7333 (2014) [Refereed Article] 
Ariafard, A and Rajabi, NA and Atashgah, MJ and Canty, AJ and Yates, BF, Computational study of carbostannylation implicating bimetallic catalysis involving 'AuI-vinyl-PdII' species, ACS Catalysis, 4, (3) pp. 860-869. ISSN 2155-5435 (2014) [Refereed Article] 
Woolley, M and Ariafard, A and Khairallah, GN and Kwan, KH-Y and Donnelly, PS and White, JM and Canty, AJ and Yates, BF and O'Hair, RAJ, Decarboxylative-coupling of allyl acetate catalyzed by group 10 organometallics, [(phen)M(CH3)]+, The Journal of Organic Chemistry, 79, (24) pp. 12056-12069. ISSN 0022-3263 (2014) [Refereed Article] 
Lotz, MD and Remy, MS and Lao, DB and Ariafard, A and Yates, BF and Canty, AJ and Mayer, JM and Sanford, MS, Formation of ethane from mono-methyl palladium(II) complexes, Journal of the American Chemical Society, 136, (23) pp. 8237-8242. ISSN 0002-7863 (2014) [Refereed Article] 
Lake, BRM and Ariafard, A and Willans, CE, Mechanistic insights into the oxidative coupling of N-heterocyclic carbenes within the coordination sphere of copper complexes, Chemistry: A European Journal, 20, (40) pp. 12729-12733. ISSN 0947-6539 (2014) [Refereed Article] 
Shaw, MF and Mahdizadeh Ghohe, N and Ariafard, A and Brookes, NJ and Stranger, R and Yates, BF, NO2 bond cleavage by MoL3 complexes, Dalton Transactions, 43, (4) pp. 1620-1629. ISSN 1477-9226 (2014) [Refereed Article] 
Ariafard, A and Ghari, H and Bagi, AH and Canty, AJ and Yates, BF, Theoretical study of the mechanism of CO and acetylene migratory insertions into Pt-Cp* bonds, Organometallics, 33, (9) pp. 2384-2387. ISSN 0276-7333 (2014) [Refereed Article] 
Canty, AJ and Ariafard, A and Sanford, MS and Yates, BF, Mechanism of Pd-catalyzed Ar-Ar bond formation involving ligand-directed C-H arylation and diaryliodonium oxidants: computational studies of orthopalladation at binuclear Pd(II) centers, oxidation to form binuclear palladium(III) species, and Ar Ar reductive coupling, Organometallics, 32, (2) pp. 544-555. ISSN 0276-7333 (2013) [Refereed Article] 
Ariafard, A and Ghohe, NM and Abbasi, KK and Canty, AJ and Yates, BF, Theoretical investigation into the mechanism of 3'-dGMP oxidation by [PtIVCl4(dach)], Inorganic Chemistry, 52, (2) pp. 707-717. ISSN 0020-1669 (2013) [Refereed Article] 
Ghorbani, N and Mahdizadeh Ghohe, N and Torabi, S and Yates, BF and Ariafard, A, Theoretical investigation into the mechanism of ethylene polymerization by a cationic dinuclear aluminum complex: a longstanding unresolved issue, Organometallics, 32, (6) pp. 1687-1693. ISSN 0276-7333 (2013) [Refereed Article] 
Rajabi, NA and Atashgah, MJ and BabaAhmadi, R and Hyland, C and Ariafard, A, Theoretical study on the ring-opening reactions of cyclopropenes mediated by a AuI complex, The Journal of Organic Chemistry, 78, (19) pp. 9553-9559. ISSN 0022-3263 (2013) [Refereed Article] 
Batebi, H and Zarkoob, F and Daraei, K and Yates, BF and Ariafard, A, Understanding the mechanism of CuI-catalyzed N-H carboxylation of heterocyclic rings with CO2 from a theoretical point of view, Journal of Organometallic Chemistry, 748 pp. 89-97. ISSN 0022-328X (2013) [Refereed Article] 
Powers, DC and Lee, E and Ariafard, A and Sanford, MS and Yates, BF and Canty, AJ and Ritter, T, Connecting binuclear Pd(III) and mononuclear Pd(IV) chemistry by Pd-Pd bond cleavage, Journal of the American Chemical Society, 134, (29) pp. 12002-12009. ISSN 0002-7863 (2012) [Refereed Article] 
Ariafard, A and Tabatabaie, ES and Aghmasheh, S and Najaflo, S and Yates, BF, Density functional theory studies on the oxidation of 5'-dGMP and 5'-dAMP by a platinum(IV) complex, Inorganic Chemistry, 51, (15) pp. 8002-8013. ISSN 0020-1669 (2012) [Refereed Article] 
Sharma, M and Ariafard, A and Canty, AJ and Yates, BF and Gardiner, MG and Jones, RC, Synthetic and computational studies of the palladium(IV) system Pd(alkyl)-(aryl)(alkynyl)(bidentate)(triflate) exhibiting selectivity in C-C reductive elimination, Dalton Transactions, 41, (38) pp. 11820-11828. ISSN 1477-9226 (2012) [Refereed Article] 
Ariafard, A and Asadollah, E and Ostadebrahim, M and Rajabi, NA and Yates, BF, Theoretical investigation into the mechanism of Au(I)-catalyzed reaction of alcohols with 1,5 enynes, Journal of the American Chemical Society, 134, (40) pp. 16882-16890. ISSN 0002-7863 (2012) [Refereed Article] 
Ariafard, A and Tabatabaie, ES and Monfared, AT and Assar, SHA and Hyland, CJT and Yates, BF, Theoretical investigation into the palladium-catalyzed silaboration of pyridines, Organometallics, 31, (5) pp. 1680-1687. ISSN 0276-7333 (2012) [Refereed Article] 
Nabavizadeh, SM and Amini, H and Shahsavari, HR and Namdar, M and Rashidi, M and Kia, R and Hemmateenejad, B and Nekoeinia, M and Ariafard, A and Hosseini, FN and Gharavi, A and Khalafi-Nezhad, A and Sharbati, MT and Panahi, F, Assembly of cyclometalated platinum(II) complexes via 1,1'-bis(diphenylphosphino)ferrocene ligand: kinetics and mechanisms, Organometallics, 30, (6) pp. 1466-1477. ISSN 0276-7333 (2011) [Refereed Article] 
Hosseini, FN and Ariafard, A and Rashidi, M and Azimi, G and Nabavizadeh, SM, Density functional studies of influences of Ni triad metals and solvents on oxidative addition of Mel to [M(Ch3)2(NH3)2] complexes and C–C reductive elimination from [M(CH3)3(NH3)2I] complexes, Journal of Organometallic Chemistry, 696, (21) pp. 3351-3358. ISSN 0022-328X (2011) [Refereed Article] 
Ariafard, A and Zarkoob, F and Batebi, H and Stranger, R and Yates, BF, DFT Studies on the Carboxylation of the C−H Bond of Heteroarenes by Copper(I) Complexes, Organometallics, 30, (22) pp. 6218-6224. ISSN 0276-7333 (2011) [Refereed Article]
Ariafard, A and Brookes, NJ and Stranger, R and Yates, BF, DFT Study on the Mechanism of the Activation and Cleavage of CO2 by (NHC)CuEPh3 (E = Si, Ge, Sn), Organometallics, 30, (6) pp. 1340-1349. ISSN 0276-7333 (2011) [Refereed Article]
Ariafard, A and Ejehi, Z and Sadrara, H and Mehrabi, T and Etaati, S and Moradzadeh, A and Moshtaghi, M and Nosrati, H and Brookes, NJ and Yates, BF, Insight into the Mechanism of R-R Reductive Elimination from the Six-Coordinate d6 Complexes L2Pt(R)4 (R = vinyl, Me), Organometallics, 30, (3) pp. 422-432. ISSN 0276-7333 (2011) [Refereed Article]
Ariafard, A and Hyland, CJT and Canty, AJ and Sharma, M and Yates, BF, Theoretical investigation into the mechanism of reductive elimination from bimetallic palladium complexes, Inorganic Chemistry, 50, (14) pp. 6449-6457. ISSN 0020-1669 (2011) [Refereed Article]
Gallego, G and Ariafard, A and Tran, K and Sandoval, D and Choi, L and Chen, YH and Yates, BF and Tao, FM and Hyland, CJT, Titanium-mediated rearrangement of cyclopropenylmethyl acetates to (E)-halodienes, Organic & Biomolecular Chemistry, 9, (9) pp. 3359-3363. ISSN 1477-0520 (2011) [Refereed Article]
Brookes, NJ and Ariafard, A and Stranger, R and Yates, BF, Tuning the Laplaza-Cummins 3-coordinate M[N(R)Ph]3 catalyst to activate and cleave CO2, Dalton Transactions, 40, (20) pp. 5569-5578. ISSN 1477-9226 (2011) [Refereed Article]
Ariafard, A and Brookes, NJ and Stranger, R and Boyd, PDW and Yates, BF, Density functional theory study on the mechanism of the reductive cleavage of CO2 by a bis-a-diketoiminatediiron dinitrogen complex, Inorganic Chemistry, 49, (17) pp. 7773-7782. ISSN 0020-1669 (2010) [Refereed Article] 
Seraya, E and Slack, E and Ariafard, A and Yates, BF and Hyland, CJT, Experimental and theoretical investigation into the gold-catalyzed reactivity of cyclopropenylmethyl acetates, Organic Letters, 12, (21) pp. 4768-4771. ISSN 1523-7060 (2010) [Refereed Article] 
Brookes, NJ and Whited, MT and Ariafard, A and Stranger, R and Grubbs, RH and Yates, BF, Factors dictating carbene formation at (PNP)Ir, Organometallics, 29, (19) pp. 4239-4250. ISSN 0276-7333 (2010) [Refereed Article] 
Ariafard, A and Hyland, CJT and Canty, AJ and Sharma, M and Brookes, NJ and Yates, BF, Ligand effects in bimetallic high oxidation state palladium systems, Inorganic Chemistry, 49, (23) pp. 11249-11253. ISSN 0020-1669 (2010) [Refereed Article]
Brookes, NJ and Ariafard, A and Stranger, R and Yates, BF, Scission of Carbon Monoxide Using TaR3, R = (N(tBu)Ph) or OSi(tBu)3: a DFT Investigation, Chemistry: A European Journal, 16, (27) pp. 8117-8132. ISSN 0947-6539 (2010) [Refereed Article] 
Brookes, NJ and Ariafard, A and Stranger, R and Yates, BF, Cleavage of Carbon Dioxide by an Iridium-Supported Fischer Carbene. A DFT Investigation, Journal of the American Chemical Society, 131, (16) pp. 5800-5808. ISSN 0002-7863 (2009) [Refereed Article] 
Ariafard, A and Yates, BF, In-depth insight into the electronic and steric effects of phosphine ligands on the mechanism of the R-R reductive elimination from (PR3)2PdR2, Journal of Organometallic Chemistry, 694, (13) pp. 2075-2084. ISSN 0022-328X (2009) [Refereed Article] 
Ariafard, A and Tabatabaie, ES and Yates, BF, Mechanistic Studies of Ligand Fluxionality in [Mo(c5-Cp)(c1-Cp)(L)2]n, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 113, (12) pp. 2982-2989. ISSN 1089-5639 (2009) [Refereed Article] 
Brookes, NJ and Ariafard, A and Stranger, R and Yates, BF, Reactivity of CO2 towards Mo[N(R)Ph)3], Dalton Transactions, 2009, (42) pp. 9266-9272. ISSN 1477-9226 (2009) [Refereed Article] 
Ariafard, A and Yates, BF, Subtle Balance of Ligand Steric Effects in Stille Transmetalation, Journal of the American Chemical Society, 131, (39) pp. 13981-13991. ISSN 0002-7863 (2009) [Refereed Article] 
Ariafard, A and Brookes, NJ and Stranger, R and Yates, BF, A Molecular Orbital Rationalization of Ligand Effects in N2 Activation, Chemistry: A European Journal, 14, (20) pp. 6119-6124. ISSN 0947-6539 (2008) [Refereed Article] 
Ariafard, A and Brookes, NJ and Stranger, R and Yates, BF, Activation of CS2 and CS by ML3 Complexes, Journal of the American Chemical Society, 130, (36) pp. 11928-11938. ISSN 0002-7863 (2008) [Refereed Article] 
Nienkemper, K and Lee, H and Jordan, RF and Ariafard, A and Dang, L and Lin, Z, Synthesis of double-end-capped polyethylene by a cationic tris(pyrazolyl)borate zirconium benzyl complex, Organometallics, 27, (22) pp. 5867-5875. ISSN 0276-7333 (2008) [Refereed Article] 
Zheng, W and Ariafard, A and Lin, Z, Understanding the highly regioselective cyanothiolation of 1-alkynes catalyzed by palladium phosphine complexes, Organometallics, 27, (2) pp. 246-253. ISSN 0276-7333 (2008) [Refereed Article] 

This list was generated on Sun Dec 17 00:17:49 2017.