Computational Inorganic Chemistry

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Dr Arif Sajjad              m.sajjad@hw.ac.uk

0000-0002-4119-9912

Arif Sajjad's research focuses on computational modelling of sigma-alkane complexes in experimental collaboration with Prof Andy Weller at the University of York. His previous research includes DFT modelling of weak interactions in organometallic complexes.

He obtained his PhD in computational organometallic chemistry from Massey University New Zealand and MSc in chemistry from University of Eastern Finland.

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Recent Publications

[10].

A Comparison of Non-Covalent Interactions in the Crystal Structures of two σ-Alkane Complexes of Rh Exhibiting Contrasting Stabilities in the Solid State.
M. A. Sajjad, S. A. Macgregor and A. S. Weller
Faraday Discuss., 2023, ASAP, online , DOI: 10.1039/D3FD00009E

[9].

Bis-anagostic structures in N, N'-chelate ligand complexes of palladium(II)
M. A. Sajjad, P. Schwerdtfeger, Y. Cai, J. M. Waters, J. A. Harrison, A. J. Nielson
Eur. J. Inorg. Chem., 2022, 12, 1-8, DOI: 10.1002/ejic.202200027

[8].

Steric and Electronic manipulation of the Agostic and π-Syndetic Donations in a Known Iminophosphane Ni(II) Complex Containing a Rotatable In-Plane Aromatic Ring
M. A. Sajjad, P. Schwerdtfeger, J. A. Harrison, A. J. Nielson
Eur. J. Inorg. Chem., 2021, 7, 664-674, DOI: 10.1002/ejic.202001005

[7].

Electronic and Steric Manipulation of the Agostic Interaction in benzo[h]quinoline Complexes of Pd(II) and Implications for the Formation of η1-Pd–C Bonds
A. J. Nielson, J. A. Harrison, M. A. Sajjad, P. Schwerdtfeger
Eur. J. Inorg. Chem., 2020, 27, 2639-2650, DOI: 10.1002/ejic.202000348

[6].

A Search by NBO Analysis for Syndetic Donation in Known X-ray Structures of Transition Metal Complexes with Close Aromatic Ring C–H···Metal Approaches
M. A. Sajjad, P. Schwerdtfeger, J. Harrison, A. J. Nielson
Eur. J. Inorg. Chem., 2020, 25, 2603-2614, DOI: 10.1002/ejic.202000336

[5].

Evaluation of the Agostic and Syndetic Donations in Aromatic Ring Agostic Interactions Involved in Heteroatom Ligand-Directed C–H Bond Activation
J. A. Harrison, A. J. Nielson, M. A. Sajjad, P. Schwerdtfeger
Organometallics, 2019, 38, 1903-1916, DOI: 10.1021/acs.organomet.9b00021

[4].

Electronic manipulation of the agostic and syndetic components in 1-tetralone oxime and imine complexes of palladium (II)
M. A. Sajjad, P. Schwerdtfeger, J. A. Harrison, A. J. Nielson
Polyhedron, 2018, 151, 66-73, DOI: 10.1016/j.poly.2018.05.025

[3].

NBO Orbital Interaction Analysis for the Ambiphilic Metal–Ligand Activation/Concerted Metalation Deprotonation (AMLA/CMD) Mechanism Involved in the Cyclopalladation Reaction of N,N-Dimethylbenzylamine with Palladium Acetate
M. A. Sajjad, J. A. Harrison, A. J. Nielson, P. Schwerdtfeger
Organometallics, 2018, 37, 3659-3669, DOI: 10.1021/acs.organomet.8b00303

[2].

Electronic and Steric Manipulation of the Preagostic Interaction in Isoquinoline Complexes of RhI
A. J. Nielson, J. A. Harrison, M. A. Sajjad, P. Schwerdtfeger
Eur. J. Inorg. Chem., 2017, 15, 2255-2264, DOI: 10.1002/ejic.201700086

[1].

Chasing the agostic interaction in ligand assisted cyclometallation reactions of palladium (II)
M. A. Sajjad, K. E. Christensen, N. H. Rees, P. Schwerdtfeger, J. A. Harrison, A. J Nielson
Dalton Trans., 2017, 46, 16126-16138, DOI: 10.1039/C7DT03525J


Heriot-Watt University, Institute of Chemical Sciences, Edinburgh, Scotland, UK EH14 4AS