Carousel Bootstrap First

Home Research Activities Projects Publications Group Members Invited Talks Gallery Contact Us

Year Wise Publications

                                                

                                             

List of publications in 2001

  1. A revised look at p-electron delocalization in benzene (research news item), G. N. Sastry,Curr. Sci., 2001, 81, 1288-1290.
  2. Bicyclo[2.1.1]hexan-2-one system: New probe for the experimental and computational study of electronic effects in p-facial selectivity in nucleophilic additions. G. Mehta, R. Singh, V. Gagliardini, U. D. Priyakumar, G. N. Sastry, Tetrahedron Lett., 2001, 42, 8527-8530.
  3. Heterobuckybowls: A theoretical study on the structure, bowl-to-bowl inversion barrier, bond length alternation, structure-inversion barrier relationship, stability, and synthetic feasibility. U. D. Priyakumar and G. N. Sastry, J. Org. Chem., 2001, 66, 6523-6530.
  4. Synthetic strategies toward buckybowls and C60: Benzannulation is remarkably facile compared to cyclopentannulation, T. C. Dinadayalane and G. N. Sastry, Tetrahedron Lett., 2001, 42, 6421-6423.
  5. An ab initio and DFT study of the valence isomers of pyridine. U. D. Priyakumar, T. C. Dinadayalane and G. N. Sastry, Chem. Phys. Lett., 2001, 337, 361-367.
  6. First ab initio and density functional study on the structure, bowl-to-bowl inversion barrier and vibrational spectra of the elusive C3v-symmetric buckybowl: Sumanene, C21H12. U. D. Priyakumar and G. N. Sastry, J. Phys. Chem. A., 2001, 105, 4488-4496.
  7. Theoretical studies on the effect of sequential benzannulation to corannulene. T. C. Dinadayalane, U. D. Priyakumar and G. N. Sastry, J. Mol. Struct. (Theochem)., 2001, 543, 1-10.
  8. Structures, energetics and vibrational spectra of the valence isomers of phosphinine. An ab initio and DFT study, U. D. Priyakumar, T. C. Dinadayalane and G. N. Sastry, Chem. Phys. Lett., 2001, 336, 343-348.
  9. Theory provides a clue to accomplish the synthesis of sumanene, C21H12, the prototypical C3v-buckybowl, U. D. Priyakumar and G. N. Sastry, Tetrahedron Lett., 2001, 42, 1379-1381.
  10. Tailoring the curvature, bowl rigidity and stability of heterobuckybowls: Theoretical design of synthetic strategies towards heterosumanenes, U. D. Priyakumar and G. N. Sastry, J. Mol. Graphics Model. 2001, 19, 266-269. (Festschrift to commemorate 30 years of Osawa’s C60 paper)
  11. The role of heteroatom substitution in the rigidity and curvature of buckybowls. A theoretical study. G. N. Sastry and U. D. Priyakumar, J. Chem. Soc., Perkin Trans.,2, 2001, 30-40.
  12. Structures, energetics, relative stabilities and out-of-plane distortivities of skeletally disubstituted benzenes, (CH)4X2 (X= N, P, C-, Si-, O+ and S+): An ab initio and DFT study. U. D. Priyakumar and G. N. Sastry, J. Am. Chem. Soc., 2000, 122, 11173-11181.
  13. Effect of substitution on the curvature and bowl-to-bowl inversion barrier of bucky-bowls. Study of mono-substituted corannulenes (C19XH10, X = B-, N+, P+ and Si). G. N. Sastry, H. S. P. Rao, P. Bednarek and U. D. Priyakumar, Chem. Commun., 2000, 843-844.
  14. The Radical cation of syn-tricyclooctadiene and its rearrangement products, T. Bally, S. Bernhard, S. Matzinger, J.-L. Roulin, G. N. Sastry, L. Truttman, Z. Zhu, A. Marcinek, J. Adamus, R. Kaminski, J. Gebicki, F. Williams, G.-F. Chen, M. P. Fulscher, Chem. Eur. J., 2000, 6, 858-868.
  15. Structure, stability and reactivity parameters of (CH)8 isomers and their cation and anion radical counterparts: A Theoretical Study, U. D. Priyakumar and G.N. Sastry, Indian J. Chem., 2000, 32A, 92-99. (Special issue on contemporary theoretical Chemistry in India).