الاهتمامات البحثية
أهتم في بحوثي العلمية بتصنيع الجزيئيات غير المستقرة في الظروف العادية والتي تحتوي علي ذرات كربون وهيدروجين ونيتروجين وبها روابط ثنائية وثلاثية والتعرف عليها بواسطة علم أطياف الموجات الدقيقة وعلم أطياف الأشعة تحت الحمراء ذات الإستبانة العالية وعلم أطياف الإلكترون الضوئي. بما أن درجة الحرارة والضغط يكونان قليلان جداً في الوسط بين النجوم فيتوقع أن تكون هذه الجزيئيات مستقرة ومتوفرة في الوسط بين النجمي. لذا نستخدم مقادير تعيينها التي حصلنا عليها في المعمل في التعرف عليها في الفضاء خاصة ثوابت الدوران التي حددناها من تحليل أطياف دورانها.لي كذلك إهتمام بدراسة القوي بين الجزيئيات عندما تكون في شكل محاليل عن طريق علم الأطياق أو الامتزاز.
تضم أهتماماتي البحثية الأخري مجالات الكيمياء النظرية حيث نستخدم كيمياء الكم في دراسة البنية الهندسية المثلي لبعض الجزيئيات المعروفة وغير المعروفة ومن ثم تحديد طاقاتها عبر تحليل ديناميكي حراري إحصائي شامل يتضمن كذلك أنماط إهتزازاتها وتماثلها.
أهتم كذلك بدراسة التلوث البيئي بواسطة العناصر الثقيلة في الهواء والتربة في المدن الكبيرة وكذلك العناصر المشعة في البحار
Scientific Projects Participation:
- 1-Theoretical study of the thermal and photochemical decarbonylation reaction of cyclopropenones. (2011-2012) - Funded Deanship of Scientific Research King Abdul Aziz University.
- 2-Theoretical studies of novel donor-acceptor compounds and polymers, 2011-2012. Funded Deanship of Scientific Research King Abdul Aziz University.
- 3-The production of prop-2-ynylideneamine by the thermolysis of N-chloropropargylamine, N-fluoropropargylamine and N-hydroxypropargylamine: a computational study. (2013-2014) - Funded Deanship of Scientific Research King Abdul Aziz University.
- 4-Ultrafast dissociation/isomerization dynamics of the atmospheric system CH3OBr/BrCH2OH using Surface Hopping and chemical Dynamics Simulations (A theoretical femtochemistry approach) (2014-2016)- Funded King Abdul Aziz City of Science and Technology.
- 5-Theoretical Investigation of the Electronic Structure and Complexing Character of the Biologically Important imidazol-4-acetic acid (2014). Funded by Deanship of Scientific Research King Abdul Aziz University..
- 6-Designing a computational chemistry platform to guide the development of corrosion-prevention monolayers on Iron surfaces. International Collaboration with Georgia Institute of Technology(2013-2015). Funded by KAU Deanship of Scientific Research King Abdul Aziz University.
Publications
1- Title: Experimental and Theoretical Investigation of the Pyrolysis Products of Iminodiacetonitrile, (N≡CCH2)2NH
Author: Osman, Osman I.
Source: Journal of Physical Chemistry A Volume: 118 Issue: 46 Pages: 10934-10943 Published: NOV 20 2014 DOI: 10.1021/jp507397x
2- Title: Assessment of Committed Effective Dose due to consumption of Red Sea coral reef fishes collected from the local market (Sudan)
Author(s): Hassona, Rifaat K.; Sam, A. K.; Osman, O. I.; et al.
Source: Science of the Total Environment Volume: 393 Issue: 2-3 Pages: 214-218 Published: 2008 DOI: 10.1016/j.scitotenv.2007.12.014
3- Title: Pyrolytically grown B xC yN z nanomaterials: nanofibres and nanotubes
Author(s): Terrones, M.; Benito, A. M.; Manteca-Diego, C.; Osman, O.I. et al.
Source: Chemical Physics Letters Volume: 257 Issue: 5-6 Published: 1996
DOI: 10.1016/0009-2614(96)00594-5
4- Title: Photoelectron spectroscopic detection of vinyl alcohol, CH2=CHOH: evidence for the syn and anti rotamers
Author(s): Matti, G. Y.; Osman, O. I.; Upham, J. E.; et al.
Source: Journal of Electron Spectroscopy and Related Phenomena Volume: 49 Issue: 3 Published: 1989 DOI: 10.1016/0368-2048(89)85008-x
5- Title: The microwave spectrum of 1-fluorophosphaethene CH2=PF
Author(s): Osman, O. I.; Whitaker, B. J.; Simmons, N. P. C.; et al.
Source: Journal of Molecular Spectroscopy Volume: 137 Issue: 2 Published: 1989
DOI: 10.1016/0022-2852(89)90180-x
6- Title: THE MICROWAVE-SPECTRUM AND STRUCTURE OF Z-PROP-2-YNYLIDENEAMINE, HC≡C-CH=NH
Author(s): MCNAUGHTON, D; OSMAN, OI; KROTO, HW
Source: Journal of Molecular Structure Volume: 190 Pages: 195-204 Published: NOV 1988 DOI: 10.1016/0022-2860(88)80284-9
7- Title: Photoelectron, infrared, and theoretical study of the thermolysis of 4-azahepta-1,6-diyne: Spectra of prop-2-ynylideneamine, H-C≡C-CH=NH, and penta-3,4-diene-1-yne, CH2=C=CHC≡CH
Author(s): Osman, O. I.; McNaughton, D.; Suffolk, R. J.; et al.
Source: Journal of the Chemical Society, Perkin Transactions 2 Issue: 6 Pages: 683-688 Published: 1987 DOI: 10.1039/p29870000683
8- Title: The detection of the new molecule prop-2-ynylideneamine, H-C≡C-CH=NH, by microwave spectroscopy
Author(s): Kroto, H. W.; McNaughton, D.; Osman, O. I.
Source: Journal of the Chemical Society, Chemical Communications Issue: 15 Pages: 993-994 Published: 1984
9- Title: Study of air pollutants in Khartoum State using energy dispersive x-ray florescence.
Authors: Elhag, A. S., Sirelkhatim, D. A., & Osman, O. I.
Source: Sudan Journal of Basic Sciences, 2009; Volume 6 Issue 15, Pages:105-116.
10- Title: Measurements of artificial radionuclides in some plants and
Sediments from the Sudanese Red Sea Coast:
Authors: Hassona, R.K.; Sam, A. K.; Osman, O.I.; and Sirelkhatim, D.A.
Source: Sudan Journal of Basic Sciences C, 2005; Volume 7 Issue 15, Pages: 109–118.
11-Title: Solvent effect on the Infrared Spectra of Chromium, molybdenum and
tungsten hexacarbonyls
Authors: Osman, O.I.; Zaki, N. J.
Source: Sudan Journal of Basic Sciences C, 2007; Volume 2 Issue 15, Pages: 23-35.
12- Title: Anthropogenic radionuclides in fish, shellfish, algae and sediments from the Sudanese Red Sea coastal environment (IAEA-CN-118/117)
Authors: Hassona, R. B.; Sam, A.K.; O.I. Osman, Sirelkhatim, and La Rosa, J.
Source: INIS Volume 37 Issue 21 Pages: 331-332 Published 2006.
13- Title: Morphology effects of catalytic particles in pyrolytic grown B/sub x/C/sub y/N/sub z/ nanofibres and nanotubes
Author(s): Terrones, M.; Benito, A. M.; Hsu, W. K.; Osman, O.I.; et al.
Source: Proceedings of the International Winters cool on Electronic Properties of Novel Materials. Fullerenes and Fullerene Nanostructures Proceedings of the International Winters cool on Electronic Properties of Novel Materials. Fullerenes and Fullerene Nan ... Pages: 243-9|xx+638 Published: 1996
14- Title: Microwave, photoelectron, infrared and radio astronomy study of prop-2-ynylidineamine H-C≡C-CH=NH
Author(s): Kroto, H. W.; Little, L.; McNaughton, D.; Osman, O.I. et al.
Source: Ninth Colloquium on High Resolution Molecular Spectroscopy (papers in summary form only received)|Ninth Colloquium on High Resolution Molecular Spectroscopy (papers in summary form only received) Pages: 204|xlv+235 Published: 1985
15. Title: Study on atmospheric aerosol in Khartoum and River Nile States, Sudan
Authors: Elhag, A. S.; Osman, O.I., Sirelkhatim, D.A.
Source: Eighth Arab Conference on the Peaceful Uses of Atomic Energy. Amman.3-7 December 2006.
16- Title: Measurement of Artificial Radionuclides in Some Marine Plants and Sediments from the Sudanese Red Sea Coast.
Authors: Hassona, R.K., Sam, A.K., Sirelkhatim, D.A., & Osman, O.I. (2003).
Source: Proceedings of the Sixth Arab Conference on the Peaceful Uses of Atomic Energy, Volume lIV, (p. 1702). Egypt (2003).
17. Title: 137Cs AND 210Po DOSE ASSESSMENT DUE TO CONSUMPTION OF RED SEA CORAL REEF FISHES COLLECTED FROM THE LOCAL MARKET (SUDAN)
Authors: Hassona , R.K.; Sam, A.K. , Osman, O.I. , Sirelkhatim, D.A. and LaRosa. J.
Source: Seventh Arab conference of safe uses of Atomic Energy. Yemen Sanaa 2004
18- Title: Measurement of Artificial Radionuclides in Some Marine Plants and Sediments from the Sudanese Red Sea Coast.
Authors: Hassona, R.K., Sam, A.K., Sirelkhatim, D.A., & Osman, O.I.
Source: International Conference on Isotopes in Environmental Studies – Aquatic Forum 2004
19-Title: Distribution of 90Sr in sediments and organisms from the Sudanese Coast of
the Red Sea:
Authors: Hassona, R.K.; Sam, A.K.; Osman, O.I and Sirelkhatim, D.A.
Source: 2nd Int. Conf. on Chemistry and its Applications (Doha 2003) page: 37
20- Title: Trace Elements Content in Toombak.
Authors: Eltayeb, R. H.; Eltayeb, M.A. H.; and Osman, O.I.
Source: 2nd Int. Conf. on Chemistry and its Applications (Doha 2003) Page: 66.
21- Book in Arabic Language: Basics and Fundamentals of Chemistry: Vol. 1 and Vol. 2
Authors: Hasan, M.B.; Sabir, M. E. and Osman, O.I.
Eldar Elarabia for Publication and Distribution, First Ed. 2000.
22-Title: Theoretical and Computational Study of the Tautomerization of Ketenimine to Acetonitrile
Author: Osman, Osman I.
Source: Asian Journal of Chemistry Volume: 27 Issue: 8 Accepted for Publication.
23- Title: The production of prop-2-ynylideneamine by thermolysis of N-chloropropargylamine, N-fluoropropargylamine and N-hydroxypropargylamine: a computational study
Author: Osman, Osman I.
Source: Molecular Physics Volume: 112 Issue: 2 Pages: 304-315 Published: JAN 17 2014 DOI: 10.1080/00268976.2013.810310
24- Title: Selective Solvent-Assisted Linker Exchange (SALE) in a Series of Zeolitic Imidazolate Frameworks
Author: Marianne B. Lalonde, Joseph E. Mondloch, Pravas Deria, Amy A. Sarjeant, Salih S. Al-Juaid, Osman I. Osman, Omar K. Farha, and Joseph T. Hupp,
Source: Inorganic Chemistry DOI: 10.1021/acs.inorgchem.5b01231 Accepted for Publication
25-Title: Can Gap Tuning Schemes of Long-Range Corrected Hybrid
Functionals Improve the Description of Hyperpolarizabilities?
Author(s): Garza, Alejandro J.; Osman, Osman I.; Asiri, A.M; Scuseria, Gustavo. E.
Source: Journal of Physical Chemistry B Volume: 119 Issue: 3 Pages: 1202-1212 Published: SEP 2 2014 DOI: 10.1021/jp507226v
26- Title: A computational study of the nonlinear optical properties of carbazole derivatives: theory refines experiment
Author(s): Garza, Alejandro J.; Osman, Osman I.; Wazzan, Nuha Ahmed; et al.
Source: Theoretical Chemistry Accounts Volume: 133 Issue: 4 Published: FEB 16 2014 DOI: 10.1007/s00214-014-1458-9
27- Title: A density functional theory investigation of the electronic structure and spin moments of magnetite
Author(s): Noh, Junghyun; Osman, Osman I.; Aziz, Saadullah G.; et al.
Source: Science and Technology of Advanced Materials Volume: 15 Issue: 4 Published: AUG 2014 DOI: 10.1088/1468-6996/15/4/044202
28- Title: Does Prop-2-ynylideneamine, HC≡CCH=NH, Exist in Space? A Theoretical and Computational Investigation
Author(s): Osman, Osman I.; Elroby, Shaaban A.; Aziz, Saadullah G.; et al.
Source: International Journal of Molecular Sciences Volume: 15 Issue: 6 Pages: 11064-11081 Published: JUN 2014 DOI: 10.3390/ijms150611064
29- Title: Experimental and theoretical assignment of the vibrational spectra of triazoles and benzotriazoles. Identification of IR marker bands and electric response properties
Author(s): Aziz, S. G.; Elroby, Shabaan A.; Alyoubi, A.; Osman, O.I. and Hilal, R.H.
Source: Journal of Molecular Modeling Volume: 20 Issue: 3 Published: MAR 2014
DOI: 10.1007/s00894-014-2078-y
30- Title: Prediction of the linear and nonlinear optical properties of tetrahydronaphthalone derivatives via long-range corrected hybrid functionals.
Author(s): Garza, Alejandro J.; Osman, Osman I.; Wazzan, Nuha Ahmed; et al.
Source: Molecular Physics Volume: 112 Issue: 24 Pages: 3165-3172 Published: DEC 17 2014 DOI: 10.1080/00268976.2014.934312
31- Title: Theoretical and computational studies of conformation, natural bond orbital and nonlinear optical properties of cis-N-phenylbenzohydroxamic acid
Author(s): Aziz, S. G.; Elroby, Shabaan A. K.; Hilal, Rifaat H.; and Osman. O.I.
Source: Computational and Theoretical Chemistry Volume: 1028 Pages: 65-71 Published: JAN 15 2014
32- Title: Nonlinear optical properties of DPO and DMPO: a theoretical and computational study
Author(s): Garza, Alejandro J.; Osman, Osman I.; Scuseria, Gustavo E.; et al.
Source: Theoretical Chemistry Accounts Volume: 132 Issue: 9 Published: SEP 2013
DOI: 10.1007/s00214-013-1384-2
33- Title: Photochromic and nonlinear optical properties of fulgides: A density functional theory study
Author(s): Garza, Alejandro J.; Osman, Osman I.; Wazzan, Nuha A.; et al.
Source: Computational and Theoretical Chemistry Volume: 1022 Pages: 82-85 Published: OCT 15 2013 DOI: 10.1016/j.comptc.2013.08.021
34- Title: Theoretical characterization of gas-phase thermolysis products of ethane-1,2-diol, 2-chloroethanol and 2-fluoroethanol
Author(s): Osman, Osman I.; Elroby, Shabaan A. K.; Hilal, Rifaat H.; et al.
Source: Molecular Physics Volume: 111 Issue: 5 Pages: 643-659 Published: MAR 1 2013 DOI: 10.1080/00268976.2012.739716
35- Title: Eclipsed Acetaldehyde as a Precursor for Producing Vinyl Alcohol
Author(s): Osman, Osman I.; Alyoubi, Abdulrahman O.; Elroby, Shabaan A. K.; et al.
Source: International Journal of Molecular Sciences Volume: 13 Issue: 11 Pages: 15360-15372 Published: 2012 DOI: 10.3390/ijms131115360
36- Title: Theoretical investigation of the photochemical reaction mechanism of cyclopropenone decarbonylation
Author(s): Elroby, Shabaan A. K.; Osman, Osman I.; Aziz, S. G.
Source: Molecular Physics Volume: 109 Issue: 14 Pages: 1785-1795 Published: 2011
DOI: 10.1080/00268976.2011.592861
37- Title: Towards Understanding the Decomposition/Isomerism Channels of Stratospheric Bromine Species: Ab Initio and Quantum Topology Study
Author(s): Saadullah G. Aziz , Abdulrahman O. Alyoubi , Shaaban A. Elroby,
Osman I. Osman and Rifaat H. Hilal
Source: International Journal of Molecular Sciences Volume: 16 Pages: 6783-6800 Published: 2015 DOI: 10.3390/ijms16046783
38- Title: Synthesis, Spectral Characteristics and DFT Studies of the New Dye 2,7-diacetyl-9-((dimethylamino)methylene)-9H-fluorene (DMMF) in Different Solvents
Author(s): Abdullah M. Asiri, Saleh A. Ahmed, Samy A. El-Daly, Mahmoud A. Hussein, Amerah M. Al-Soliemy, Osman I. Osman, Mohamed R. Shaaban, Ismail I. Althagafi
Source: Journal of Fluorescence DOI 10.1007/s10895-015-1618-x, Accepted: 5 July 2015.
39- Title: Synthesis, optical properties, laser activity and DFT studies of (E, E)-2, 5-bis [2-(1-methyl-1H-pyrrole-2-yl)-vinyl] pyrazine (BMPVP) Author(s): Samy A. El-Daly, Abdullah M. Asiri, Khalid A. Alamry, Osman I. Osman Source: JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A: CHEMISTRY, DOI: 10.1016/j.jphotochem.2015.07.003, Accepted: 20 July 2015.