Highly strained hydrocarbons with unusual spatial structure

Highly strained hydrocarbons with unusual spatial structure Book chapters and reviews: 1. H. Dodziuk, “Endohedral fullerene complexes and in-out isomerism in perhydrogenated fullerenes. Why the carbon cages cannot be used as the hydrogen containers?", w “Mathematics and Topology of Fullerenes”, A. Graovac, O. Ori, F. Cataldo, Eds., a Springer book series on Carbon Materials Chemistry and Physics, 2011, 117 – 151. 2. H. Dodziuk, “Introductory remarks”, w “Strained hydrocarbons. Beyond van’t Hoff and LeBel hypothesis”, Ed. H. Dodziuk, Wiley-VCH, Weinheim, 2009. 3. H. Dodziuk, “Strained hydrocarbons - why are such systems worth studying?”, w “Strained hydrocarbons. Beyond van’t Hoff and LeBel hypothesis”, Ed. H. Dodziuk, Wiley-VCH, Weinheim, 2009. 4. H. Dodziuk, “Gallery of unusual hydrocarbon structures”, w “Strained hydrocarbons. Beyond van’t Hoff and LeBel hypothesis”, Ed. H. Dodziuk, Wiley-VCH, Weinheim, 2009. 5. H. Dodziuk, „Planar carbon”, w “Strained hydrocarbons. Beyond van’t Hoff and LeBel hypothesis”, Ed. H. Dodziuk, Wiley-VCH, Weinheim, 2009. 6. H. Dodziuk, “(CH)2n cage structures and planar cyclohexane rings”, w “Strained hydrocarbons. Beyond van’t Hoff and LeBel hypothesis”, Ed. H. Dodziuk, WileyVCH, Weinheim, 2009. 7. H. Dodziuk, “Introduction to fullerenes”, w “Strained hydrocarbons. Beyond van’t Hoff and LeBel hypothesis”, Ed. H. Dodziuk, Wiley-VCH, Weinheim, 2009. 8. H. Dodziuk, “Inclusion into molecular flasks as a mean for stabilization of short lived highly strained species”, w “Strained hydrocarbons. Beyond van’t Hoff and LeBel hypothesis”, Ed. H. Dodziuk, Wiley-VCH, Weinheim, 2009. 9. H. Dodziuk, “Concluding remarks”, w “Strained hydrocarbons. Beyond van’t Hoff and LeBel hypothesis”, Ed. H. Dodziuk, Wiley-VCH, Weinheim, 2009. 10. H. Dodziuk, "Modeling the Structure of Fullerenes and Their Endohedral Complexes Involving Small Molecules with Nontrivial Topological Properties", J. Nanosci. Nanotechn., 2007 , 7 (3), 1-10. Abstract 11. H. Dodziuk, “Among synthetic, supramolecular and theoretical chemistry: stabilization of short-lived species in ‘molecular’ or ‘supramolecular flasks’”, Int. J. Molec. Sci., 2002, 3, 814-821. 12. H. Dodziuk, "Modeling complexes of H2 Molecules in Fullerenes", Chem. Phys. Lett., 2005, 41. 13. H. Dodziuk, K. S. Nowiński, "Topological Isomerism: Should Rotaxanes, Endohedral Fullerene Complexes and In-Out Isomers of Hydrogenated Fullerenes Be Considered as Such?", Tetrahedron, 1998, 54, 2917. Abstract 14. H. Dodziuk, "Unusual saturated hydrocarbons: interaction between theoretical and synthetic chemistry", Top. Stereochem., 1994, 21, 351.

Articles: 1. H. Dodziuk, O. Vetokhina, H. Hopf, R. Luboradzki, P. Gaweł, J. Waluk, “Electronic states of cyclophanes with small bridges.”, J. Chem. Phys, 2012, 136, 074201. 2. H. Dodziuk, T. B. Demissie, K. Ruud, J. Jaźwiński, S. Szymański, H. Hopf, „Structure and NMR Spectra of Cyclophanes with Unsaturated Bridges (Cyclophenes)”, Magn. Res. Chem., 2012, 50, 449-457, doi: 10.1002/mrc.3821.

3. H. Dodziuk, S. Szymański, J. Jaźwiński, M. Ostrowski, T. Demissie, K. Ruud, P. Kuś, H. Hopf, S.-T. Lin, “The structure and NMR spectra of some para[2.2]cyclophanes. The dilemma of [2.2]paracyclophane symmetry”, J. Phys. Chem. A, 2011, 115, 10638-10649, DOI: 10.1021/jp205693a. 4. T. Korona, H. Dodziuk, „Small molecules in C60 and C70. Which complexes could be stabilized?”, J. Chem. Theor. Comput., 2011, 7, 1476-1483. 5. H. Dodziuk, S. Szymanski, J. Jazwinski, M. Marchwiany, H. Hopf, “Structure and Dynamics of [3.3]paracyclophane as Studied by NMR and DFT Calculations”, J. Phys. Chem. A, 2010, 114, 10467–10473. 6. H. Dodziuk, M. Ostrowski, M. E. Marchwiany, “NMR parameters of two tricyclododecadienes – strained hydrocarbons with close distance between perpendicularly or parallel arranged double bonds”, Magn. Res. Chem., 2010, 48, 173-178. 7. H. Dodziuk, M. Ostrowski, K. Ruud, J. Jaźwiński, H. Hopf, W. Koźmiński, "Spatial Structure and NMR Spectra of Strained [2.2.2]Cyclophanes", Magn. Res. Chem., 2009, 47, 407-414. 8. T. Korona, M. Hesselmann, H. Dodziuk, "Symmetry-adapted perturbation theory applied to endohedral fullerene complexes: a stability study of H2@C60 and 2H2@C60", J. Chem. Theory and Comput., 2009,5, 1585-1596. 9. T. C. Dinadayalane, L. Gorb, T. Simeon, H. Dodziuk, “Cumulative - Interaction Triggers Unusually High Stabilization of Linear Hydrocarbon Inside the SingleWalled Carbon Nanotube”, Int. J. Quantum. Chem, 2007, 107, 2204-2210. 10. H. Dodziuk, M. Ostrowski, "The planarization of the cyclohexane ring by building it into a cyclophane cage: hexahydrosuperphane", Eur. J. Org. Chem., 2006 , 5231 5237. Abstract 11. H. Dodziuk, "Reply to the 'Comment on `Modelling complexes of H2 molecules in fullerenes" by H. Dodziuk [Chem. Phys. Lett. 410 (2005) 39]` by L. Turker and S. Erkoc' ", Chem. Phys. Lett., 2006, 426, 224. 12. T. C. Dinadayalane, L. Gorb, H. Dodziuk and J. Leszczyński, "Modelling of the Stabilization of the System Consisting of a Single Walled (5.5) Carbon Nanotube C60H20 with Cumulenic or Acetylenic Chain", AIP Conf. Proc., 2005, 786, 436-439. Abstract 13. H. Dodziuk, "Modeling complexes of H2 Molecules in Fullerenes", Chem. Phys. Lett., 2005, 410, 39-41. Abstract 14. H. Dodziuk, A. Ejchart, W. Anczewski, H. Ueda, E. Krinichnaya, G. Dolgonos, W. Kutner, “Determination of the number of different types of SWNTs by complexation with -cyclodextrin”, Chem. Commun., 2003, 986-987. 15. H. Dodziuk, G. Dolgonos, J. Leszczyński, "A quantum chemical study of tricyclo[3.2.0.01,3]heptane: a new hypothetical molecule with unusual spatial structure. Similarities and differences with syn- and anti-tricyclo[3.2.0.02,4]heptanes", Tetrahedron, 2003, 59, 2561. Abstract 16. H. Dodziuk, G. Dolgonos, J. Leszczyński, "Tricyclo[2.2.0.01,3]hexane: a new hypothetical molecule which should have only one inverted carbon atom", Tetrahedron, 2003, 59, 10013. Abstract 17. M. Jaszuński, G. Dolgonos, H. Dodziuk, "An ab initio Study of NMR Chemical Shifts and Spin-spin Coupling Constants of Bicyclobutane", Theor. Chem. Acc., 2002, 108, 240. Abstract 18. H. Dodziuk, G. Dolgonos “Molecular modelling study of hydrogen molecules in carbon nanotubes”, Chem. Phys. Lett., 2002, 356, 79.

19. H. Dodziuk, G. Dolgonos, O. Lukin “Molecular mechanics study of endohedral fullerene complexes with small molecules”, Carbon, 2001, 39, 1907. 20. M. Pecul, H. Dodziuk, M. Jaszuński, O. Lukin and J. Leszczyński, "Ab initio calculations of the NMR spectra of [1.1.1]propellane and bicyclo[1.1.1]pentane", Chem. Phys. Phys. Chem., 2001, 3, 1986. Abstract 21. Dodziuk, J. Leszczyński, K. Jackowski, "Quantum Chemical Study of Spiropentane, Spiropentene and Spiropentadiene", Tetrahedron, 2001, 57, 5509. Abstract 22. H. Dodziuk, G. Dolgonos, O. Lukin, “Ease of formation of nested fullerenes”, Chem. Phys. Lett., 2000, 329, 351. 23. H. Dodziuk, O. Lukin, K.S. Nowiński, "Topological 'In-out' Isomerism in perhydrogenated Fullerenes revisited. C60H58R1R2 with two R groups 'In' (R1, R2 = H, Me)", Pol. J. Chem., 1999, 73, 299. Abstract or PDF 24. H. Dodziuk, K. Jackowski, J. Leszczyński, “GIAO-CHF calculations of NMR chemical shifts for saturated hydrocarbons with unusual spatial structure”, Proc. Of the Intern. Conf. Progress in Computing of Physicochemical Properties, 18-20 November 1999, Warsaw, Poland. 25. H. Dodziuk, J. Leszczyński, K. Jackowski, "Small-ring Geminanes - New Hypothetical Molecules with Inverted Carbon Atoms", J. Org. Chem., 1999, 64, 6177. Abstract 26. H. Dodziuk, J. Leszczyński, "Stretching the Limits: According to High-Level Ab Initio Calculations C-O Bonds Are Longer Than the Central C-C One in Hypothetical 2-Oxabicyclobutane", Pol. J. Chem., 1998, 72, 2030. PDF 27. H. Dodziuk, J. Leszczyński, K. Nowiński, "The Quest for a Planar and Pyramidal Carbon Atom. Part 4. An Unsuccessful Search for Pyramidal Carbon Atom in Hypothetical Unsaturated Conjugated Paddlane", J. Mol. Struct. (THEOCHEM), 1997, 391, 201. Abstract 28. H. Dodziuk, K. Nowiński, "Horror vacui or topological in-out isomerism in perhydrogenated fullerenes. Part 1. C60H60 and monoalkylated perhydrogenated fullerenes", Chem. Phys. Lett., 1996, 249, 406. Abstract 29. H. Dodziuk, J. Leszczyński, K. Nowiński, "The quest for planar and pyramidal carbon atom. Part 3. Can a tetrahedrally coordinated carbon form a nearly linear C-CC bond angle?", J. Org. Chem., 1995, 60, 6860. Abstract 30. H. Dodziuk, K. Nowiński, "In quest for planar and pyramidal carbon atom. Part II. AM1 study of small bridged spiropentanes", J. Mol. Struct. (THEOCHEM), 1994, 311, 97. Abstract 31. H. Dodziuk, "Bowlane (tetracyclo[3.3.3.13,10.17,10tridecane): a new hypothetical molecule possessing a pyramidal tetracoordinated carbon atom in the ground state", J. Mol. Struct., 1990 , 239, 167. Abstract 32. H. Dodziuk, "A molecular mechanics study of C8H8 saturated cage compounds", Bull. Acad. Scie. Polon., ser. chim., 1990, 38, 11. Abstract 33. H. Dodziuk, "A molecular mechanics study of new molecules containing inverted carbons : small-ring geminanes and [n.1.1]propellanes with n > 4", Tetrahedron, 1988, 44, 2951. Abstract 34. H. Dodziuk, "The study of planarized and planar cyclohexane rings on the basis of molecular mechanics", Bull. Chem. Soc. Japan, 1987, 60, 3775. Abstract 35. H. Dodziuk, K. Nowiński, "Is hexaprismane the most stable isomer of C12H12 family of saturated cage compounds?", Bull. Acad. Sci. Polon., Ser. Chim., 1987, 35, 195. Abstract

36. H. Dodziuk, "Conformational analysis of spiranes by the force-field method. Part I. Chirality and diastereoisomerism of spirocompounds. Spiro[5.5]undecane and its derivatives", J. Chem. Soc., Perkin Trans. II, 1986, 249. Abstract 37. H. Dodziuk, "Classical conformational analysis of strained organic molecules. I. [l.m.n]propellanes with l, m, and n equal to 2, 3, and 4", J. Comput. Chem., 1984, 5, 571.