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With Hongwei Xi

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Senior Professional Officer

Hongwei
Xi

Post Doctor, Technion-Israel Institute of Technology
Email

Education

  • Post Doctor
    Technion-Israel Institute of Technology ,
  • Ph.D. in Physical Chemistry
    Chinese Academy of Sciences ,
  • Master
    Beijing Normal University ,

Professional Memberships

  • Singapore Weiqi Association, Vice President

Industry Experience

  • Nanyang Technology University, Singapore
    –
  • Technion-Israel Institute of Technology, Israel
    –
  • Chinese Academy of Sciences, China
    –
  • Beijing Medical University
    –
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Technical Skills

  • Quantum Chemical Theory (Organosilicon Compounds)
  • Chemical Theoretical Design (High Energy Density Materials)
  • Molecular Mechanics (Ab Initio Molecular Dynamics)

Research Interests

  • Theoretically design of high energy density material with desired functions and prediction of their properties: quantum mechanics, molecular mechanics, ab initio molecular dynamics simulation
  • Application of quantum chemical theory to organosilicon compounds and materials: electronic structure for low-coordination silicon, chemical reactions of organosilicon compounds and silicon nanowire
  • Molecular photochemical and optical functional materials

Current Projects

  • QSAR Modeling, Molecular Docking Study and Spectral Analysis of Cannabinoids
    – Present
  • Simulation study on fire
    – Present

Past Projects

  • Prediction of Energetic Materials' Particle Size Distribution during Crystallization
    –
  • Analysis Platform for Designed Energetic Materials
    –
  • Modelling & Design of New Insensitive High Energy Materials
    –
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Teaching Modules

Pharmaceutical Engineering, BEng (Hons)

  • PHE1013 - Chemistry
  • PHE2233 - Engineering Principles Laboratory
  • PHE3011 - Bioanalyticals
  • PHE3016 - Analytical Chemistry
  • PHE2224 - Organic Chemistry Laboratory
  • PHE3020 - Pharmaceutical Analytical Techniques

Chemical Engineering, BEng (Hons)

  • CHE1023 - Organic Chemistry Laboratory
  • TCE2043 - Analytical Chemistry and Inorganic Chemistry Lab Course

Dietetics and Nutrition, BSc (Hons)

  • DTN1001 - Biochemistry
  • DTN1006 - Biochemistry

Food Technology, BFoodTech(Hons)

  • FTE1016 - Biochemistry
  • FTE1017 - Biochemistry
  • FTE1027 - Chemistry for Food Technology

Chemical Engineering, BSc

  • TCE1015 - Biomolecular Science
  • TCE1023 - Analytical Chemistry and Advanced Inorganic Chemistry Lab Course
  • TCE2013 - Organic Chemistry Lab Course

Past

  • FTE1011 - Chemistry for Food Technology
  • FTE2011 - Chemical Energetics
  • FTE2012 - Molecules to Materials
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Journal Papers

  • Sultana Bedouraa, Hong-Wei Xi, Ho Wee Goh, Kok Hwa Lim. DFT/TDDFT Investigation on donor-acceptor triazole-based copolymers for organic photovoltaics, J. Mol. Struct. 1248, 131406 (2022).

  • Hong-Wei Xi, Sultana Bedoura, Mahasin Alam Sk, Kok Hwa Lim. Mono-, Di-, Tri- and Tetra-Silacyclobutenes: Strain Energy, Hyperconjugation and Ring-opening reaction, Polyhedron, 211, 115538 (2022).

  • Hong-Wei Xi, Sultana Bedoura, Mahasin Alam Sk, Kok Hwa Lim. The Disappearance of the Stable Slightly-Bent Isomer of Germasilaallenes and the Appearance of its Cyclic Isomer, Polyhedron 192, 114821 (2020).

  • Hong-Wei Xi, Siti Zubaidah Binte Mohammad Mazian, Ho Wee Goh, Kok Hwa Lim. Theoretical Studies on the Structures, Material Properties, and IR Spectra of Polymorphs of 3,4-bis(1H-5-tetrazolyl)Furoxan, J Mol Model., 25(2):51 (2019).

  • Hong-Wei Xi, Ho Wee Goh, Jason Zhichuan Xu, Peter Peng Foo Lee and Kok Hwa Lim. Theoretical Design and Exploration of Novel High Energy Density Materials based on Silicon, J. Energet. Mater., 36, 291–301 (2018).

  • Celestine Seow; Muhammad Luthfi Ismail; Hong-Wei Xi; Yongxin Li; Kok Hwa Lim; Cheuk-Wai, So. A Bis(germyliumylidene)silver(I) Complex Dication Organometallics, 37, 1368−1372，(2018).

  • Yu-Liang Shan, Bi-Xiang Leong, Hong-Wei Xi, Rakesh Ganguly, Yongxin Li, Kok Hwa Limb and Cheuk-Wai So. Reactivity of an Amidinato Silylene and Germylene toward Germanium(II), Tin(II) and Lead(II) Halides, J. Chem. Soc., Dalton Trans., 46, 3642-3648 (2017).

  • Shu-Hua Zhang, Hong-Wei Xi,§ Yongxin Li, Kok Hwa Lim, and Cheuk-Wai So. "Delocalized Hypervalent Silyl Radical Supported by Amidinate and Imino Substituents". Inorganic Chemistry. 2017:56 (2), 701–704.

  • Shu-Hua Zhang, Emma Carter, Hong-Wei Xi, Yongxin Li, Kok Hwa Lim, and Cheuk-Wai So. Delocalized Hypervalent Silyl Radical Supported by Amidinate and Imino Substituents, Inorgan. Chem., 56, 701-704 (2016).

  • Celestine Seow, Hong-Wei Xi, Yongxin Li, and Cheuk-Wai So. Synthesis of a Germylidenide Anion from the C−C Bond Activation of a Bis(germylene) Organometallics, 35, 1060−1063 (2016).

  • Zheng-Jian Chen, Hong-Wei Xi, Kok Hwa Lim, Jong-Min Lee. Synthesis and Characterization of O Alkylated Amidium Ionic Liquids, Sustainable Chem. Eng., 3, 325-333 (2015).

  • Sultana Bedoura, Hong-Wei Xi (corresp. Auther), Kok Hwa Lim. Hydrogen Bond nature in Formamide (CYHNH2•••XH; Y=O, S, Se, Te; X=F, HO, NH2) Complexes at their Ground and Low-Lying Excited States, J. Phys. Org. Chem. 27，226-236 (2014).

  • Siew-Peng Chia, Hong-Wei Xi, Emma Carter and Cheuk-Wai So. Group II Metal Complexes of the Germylidendiide Dianion Radical and Germylidenide Anion, Angew. Chem. Int. Ed., 53, 8455-8458 (2014).

  • Zheng-Jian Chen, Hong-Wei Xi, Kok Hwa Lim, Jong-Min Lee. Novel Distillable Ionic Liquids via Reversible Amide O Alkylation Angew. Chem. Int. Ed. 52, 13392-13396 (2013).

  • Hui-Xian Yeong, Hong-Wei Xi, Yongxin Li, Sophy Bhasi Kunnappilly, Bozhen Chen, Kai-Chung Lau, Hajime Hirao, Kok Hwa Lim, Cheuk-Wai So. Zwitterionic Base-Stabilized Digermadistannacyclobutadiene and Tetragermacyclobutadi ene, Chem. Eur. J. 19, 14726-14731 (2013).

  • Siew-Peng Chia, Hong-Wei Xi, Kok Hwa Lim, Cheuk-Wai So. A Base-Stabilized Lead(I) Dimer and an Aromatic Plumbylidenide Anion, Angew. Chem. Int. Ed. 52, 6298–6301 (2013).

  • Yi-Fan Yang, Cechao Foo, Hong-Wei Xi, Yongxin Li, Kok Hwa Lim, Cheuk-Wai So. A Base-Stabilized 2-Silaallene, Organometallics 32, 2267–2270 (2013).

  • Zheng-Jian Chen, Hong-Wei Xi, Kok Hwa Lim, Jong-Min Lee. Distillable Ionic Liquids: Reversible Amide O Alkylation, Angew. Chem. Int. Ed., 52, 13392-13396 (2013).

  • Hui-Xian Yeong, Hong-Wei Xi, Kok Hwa Lim, CheukWai So. A Silyliumylidene Cation Stabilized by an Amidinate Ligand and 4-Dimethylaminopyridine, Chem. Eur. J. 19, 11786 –11790 (2013).

  • Shu-Hua Zhang, Hong-Wei Xi, Kok Hwa Lim, Cheuk-Wai So. An Extensive n, π, σ-Electron Delocalized Si4 Ring, Angew. Chem. Int. Ed. 52, 12364-12367 (2013).

  • Hong-Wei Xi, Sultana Bedoura, Kok Hwa Lim. Hydrogen Bond and Internal Rotations Barrier: DFT Study on Heavier Group-14 Analogues of Formamide, J. Phys. Org. Chem. 26, 420–431(2013).

  • Shu-Hua Zhang, Hong-Wei Xi, Kok Hwa Lim, Qingyong Meng, Ming-Bao Huang, Cheuk-Wai So. Synthesis and Characterization of a Singlet Delocalized 2,4-Diimino-1,3-disilacy clobutanediyl and a Silylenylsilaimine, Chem. Eur. J. 18, 4258-4263 (2012).

  • Jia-Yi Guo, Hong-Wei, Xi, Israel Nowik, Rolfe H., Herber, Yongxin Li, Kok Hwa Lim, Cheuk-Wai, So. Reactivity of a Tin(II) (Iminophosphinoyl)(thiophosphinoyl)-methanediide Complex Toward Sulfur: Synthesis and 119Sn Mössbauer Spectroscopic Studies of [{(μ-S)SnC(PPh2= NSiMe3)(PPh2=S)}3Sn(μ3-S)], Inorg. Chem. 51, 3996–4001 (2012).

  • Hui-Xian Yeong, Shu-Hua Zhang, Hong-Wei Xi, Jing-Dong Guo, Kok Hwa Lim, Shigeru Nagase, Cheuk-Wai So. An Amidinate-Stabilized Germatrisilacyclobutadiene Ylide, Chem. Eur. J. 18, 2685-2691 (2012).

  • Shiow Jin Tan, Hong-Wei, Xi (corresp. auther), Sultana Bedoura, Kok Hwa Lim. DFT study of Salicylaldehyde Semicarbazone Derivatives Interaction with Copper and the Effect of Aminic Substituent, Inorg. Chim. Acta 384, 29-36 (2012).

  • Shu-Hua Zhang, Hong-Wei Xi, Kok Hwa Lim, Cheuk-Wai So. Synthesis and Characterization of an Amidinate-Stabilized Siladithiocarboxylate and Its Germanium(II) Complex, Organometallics 30, 3686–3689 (2011).

  • Hui-Xian Yeong, Kai-Chung Lau, Hong-Wei Xi, Kok Hwa Lim, Cheuk-Wai So. Reactivity of a Disilylene [{PhC(NBut)2}Si]2 toward Bromine: Synthesis and Characterization of a Stable Monomeric Bromosilylene, Inorg. Chem. 49, 371-373 (2010).

  • Hui-Xian Yeong, Hong-Wei Xi, Kok Hwa Lim, Cheuk-Wai So. Synthesis and Characterization of an Amidinate-Stabilized cis-1,2- Disilylenylethene [cis-LSi{C(Ph)=C(H)}SiL] and a Singlet Delocalized Biradicaloid [LSi(μ2-C2Ph2)2SiL], Chem. Eur. J. 16, 12956-12961 (2010).

  • Jiayi Guo, Kai-Chung Lau, Hong-Wei Xi, Kok Hwa Lim, Cheuk-Wai So. Synthesis and Characterization of [(PPh2=NSiMe3)(PPh2=S)C=Sn:]2: A Stable Base-Stabilized Stannavinylidene, Chem. Comm. 46, 1929-1931 (2010).

  • Jiayi Guo, Jia-Shin Lee, Ming-Choo Foo, Kai-Chung Lau, Hong-Wei Xi, Kok Hwa Lim Cheuk-Wai So. Synthesis and Characterization of Magnesium and Aluminum Bis(phosphoranyl)methan ediide Complexes, Organometallics 29, 939–944 (2010).

  • Shu-Hua Zhang, Hui-Xian Yeong, Hong-Wei Xi, Kok Hwa Lim, Cheuk-Wai So. Hydrosilylation of a Silicon(II) Hydride: Synthesis and Characterization of a Remarkable Silylsilylene, Chem. Eur. J. 16, 10250-10254 (2010).

  • Mahasin Alam Sk, Hong-Wei Xi (corresp. auther), Kok Hwa, Lim. Structure, Bonding, and Hyperconjugation of Germaallene: A Theoretical Study, Organometallics 28, 3678–3685 (2009).

  • Hong-Wei Xi (corresp. auther), Lim Kok Hwa, Zaher M.A. Judeh. Theoretical Studies of the Conformers of rac-6,6′,7,7′-tetramethoxy- 1,1′,2,2′,3,3′,4,4′-octahydro-1,1′-bisisoquinoline and its N-acyl and N-alkyl Derivatives, J. Mol. Struct. (Theochem) 897, 22-31 (2009).

  • Hong-Wei Xi (corresp. auther), Kok Hwa, Lim. Theoretical Study of Germabutadienic Internal Rotations and π-Conjugation, Organometallics 27, 5748–5758 (2008).

  • Hong-Wei Xi, Miriam Karni, Yitzhak Apeloig. Silabutadienes. Internal Rotations and π-Conjugation. A Density Functional Theory Study, J. Phys. Chem. A 112, 13066-13079 (2008).

  • Tao Liu, Ming-Bao Huang, Hong-Wei Xi. The 12B2, 12B1, 12A1, 12A2, and 32A'(22B2) States of the 1,1-Difluchloromethane Ion Studied Using Multiconfiguration Second-Order Perturbation Theory, Chem. Phys. 332, 277-2283 (2007).

  • Hong-Wei Xi, Ming-Bao, Huang. Bromine-Loss and Hydrogen-Loss Dissociations in Low-Lying Electronic States of the CH3Br+ Ion Studied Using Multiconfiguration Second-Order Perturbation Theory, J. Phys. Chem. A 110, 8167-8173 (2006).

  • Hong-Wei Xi, Ming-Bao Huang. The 12B2, 12B1, 12A1, 12A2, and 32A'(22B2) States of the 1,1-Dichloromethane Ion Studied Using 
    Multiconfiguration Second-Order Perturbation Theory, Chem. Phys. Lett. 425, 28-234 (2006).

  • Tao Liu, Wen-Zuo Li, Qing-Zhong Li, Hai-Feng Zhang, Hong-Wei Xi. Cl-loss and F-loss Dissociations in Low-Lying Electronic States of the CF2CL2+ Ion Studied using Multiconfiguration Second-order Perturbation Theory, Chem. Phys. Lett. 485, 290-295 (2006).

  • Hong-Wei Xi, Ming-Bao Huang. The 12B1, 12B2, 12A1, 12A2, 32A'(22B2), and 22A1 States of the 1,1-Difluoromethane Ion Studied Using Multiconfiguration Second-Order Perturbation Theory, Chem. Phys. Lett. 430, 227-234 (2006).

  • Hong-Wei Xi, Ming-Bao Huang, Bo-Zhen Chen, Wen-Zuo Li. F-Loss and H-Loss Dissociations in Low-Lying Electronic States of the CH3F+ Ion Studied Using Multiconfiguration Second-Order Perturbation Theory, J. Phys. Chem. A 109, 9149-9155 (2005).

  • Hong-Wei Xi, Ming-Bao Huang, Bo-Zhen Chen, Wen-Zuo Li. Cl-Loss and H-Loss Dissociations in Low-Lying Electronic States of the CH3Cl+ Ion Studied Using Multiconfiguration Second-Order Perturbation Theory, J. Phys. Chem. A 109, 4381-4387 (2005).

  • Hong-Wei Xi, Wen-Zuo Li, Feng-Ling Liu, Ming-Bao Huang. Internal Rotations in the Difluorobutadiene and Tetrafluorobutadiene Molecules: a DFT B3LYP study, J. Mol. Struct. (Theochem) 683, 71-79 (2004).

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