Synthesis and structure of a 3D porous network containing aromatic 1D chains of Li6 rings: Experimental and computational studies

Journal of Physical Chemistry A

Volumn 114, Issue 40, 2010, Pages 10871-10877

  Deb, Dibakar ^a   Giri, Santanab ^a   Chattaraj, Pratim K ^a   Bhattacharjee, Manish ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

1D CHAIN; 3D NETWORKS; COMPUTATIONAL STUDIES; DFT CALCULATION; POROUS NETWORKS;

SULFUR COMPOUNDS; THREE DIMENSIONAL;

AROMATIC HYDROCARBONS;

EID: 77957855164     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp106028y     Document Type: Article

References (46)

1. Liu, X.; Park, M.; Hongh, S.; Oh, M.; Yoon, J. W.; Chang, J.-S.; Lah, M. S. Inorg. Chem. 2009, 48, 11507
2. Ren, H.; Ben, T.; Wang, E.; Jing, X.; Xue, M.; Liu, B.; Cui, Y.; Qiu, X.; Zhu, G. Chem. Commun. 2010, 291
3. Zou, R.-Q.; Jiang, L.; Senoh, H.; Takeichi, N.; Xu, Q. Chem. Commun. 2005, 3526
4. Huang, X.; Zhai, H. J.; Kiran, B.; Wang, L. S. Angew. Chem., Int. Ed. 2005, 44, 7251
5. Erhardt, S.; Frenking, G.; Chen, Z.; Schleyer, P. v. R. Angew. Chem., Int. Ed. 2005, 44, 1078
6. Alexandrova, A. N.; Boldyrev, A. I. J. Phys. Chem. A 2003, 107, 554
7. Boldyrev, A. I.; Kuznetsov, A. E. Inorg. Chem. 2002, 41, 532
8. Boldyrev, A. I.; Wang, L.-S. Chem. Rev. 2005, 105, 3716
9. Datta, A.; Pati, S. K. Chem. Commun. 2005, 5032
10. Li, X.; Kuznetsov, A. E.; Zhang, H. F.; Boldyrev, A. I. Science 2001, 291, 859
11. Alexandrova, A. N.; Bodyrev, A. I.; Zhai, H.-J.; Wang, L.-S. Coord. Chem. Rev. 2006, 250, 2811
12. Khatua, S.; Roy, D. R.; Chattaraj, P. K.; Bhattacharjee, M. Chem. Commun. 2007, 135
13. Khatua, S.; Roy, D. R.; Bultinck, P.; Bhattacharjee, M.; Chattaraj, P. K. Phys. Chem. Chem. Phys. 2008, 10, 2461
14. Farrugia, L. J. J. Appl. Crystallogr. 1999, 32, 837
15. Sheldrick, G. M. Acta Crystallogr. 2008, A64, 112
16. Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565
17. Dolomanov, O. V.; Blake, A. J.; Champness, N. R.; Schroder, V. J. Appl. Crystallogr. 2003, 36, 1283
18. Walawalkar, M. G.; Murugavel, R.; Voigt, A.; Roesky, H. W.; Schmidt, H. G. J. Am. Chem. Soc. 1997, 119, 4656
19. Gaussian 03, Revision B.03; Gaussian Inc., Pittsburgh, PA.
20. Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules; Oxford University Press: Oxford, UK, 1989.
21. Geerlings, P.; De Proft, F.; Langenaeker, W. Chem. Rev. 2003, 103, 1793
22. Chattaraj, P. K. Ed. Chemical Reactivity Theory: A Density Functional View; Taylor & Francis/CRC Press: Boca Raton, FL, 2009.
23. Chattaraj, P. K.; Giri, S. Annu. Rep. Prog. Chem., Sect. C: Phys. Chem. 2009, 105, 13
24. Deb, B. M.; Chattaraj, P. K.; Mishra, S. Phys. Rev. A 1991, 43, 1248
25. Chattaraj, P. K.; Cedillo, A.; Parr, R. G.; Arnett, E. M. J. Org. Chem. 1995, 60, 4707
26. Sengupta, S.; Chattaraj, P. K. Phys. Lett. A 1996, 215, 119
27. Fuentealba, P.; Simon-Manso, Y.; Chattaraj, P. K. J. Phys. Chem. A 2000, 104, 3185
28. Padmanabhan, J.; Parthasarathi, R.; Subramanian, V.; Chattaraj, P. K. Bioorg. Med. Chem. 2006, 14, 1021
29. Parr, R. G.; Pearson, R. G. J. Am. Chem. Soc. 1983, 105, 7512
30. Pearson, R. G. Chemical Hardness: Applications from Molecules to Solids; Wiley-VCH: Weinheim, Germany, 1997.
31. Ghanty, T. K.; Ghosh, S. K. J. Phys. Chem. 1993, 97, 4951
32. Parr, R. G.; Szentpaly, L. v.; Liu, S. J. Am. Chem. Soc. 1999, 121, 1922
33. Chattaraj, P. K.; Sarkar, U.; Roy, D. R. Chem. Rev. 2006, 106, 2065
34. Chattaraj, P. K.; Roy, D. R. Chem. Rev. 2007, 107, PR46
35. Parr, R. G.; Donnelly, R. A.; Levy, M.; Palke, W. E. J. Chem. Phys. 1978, 68, 3801
36. Chattaraj, P. K. J. Indian Chem. Soc. 1992, 69, 173
37. Parr, R. G.; Chattaraj, P. K. J. Am. Chem. Soc. 1991, 113, 1854
38. Chattaraj, P. K.; Sengupta, S. J. Phys. Chem. 1996, 100, 16126
39. Parthasarathi, R.; Elango, M.; Subramanian, V.; Chattaraj, P. K. Theor. Chem. Acc. 2005, 113, 257-266
40. Chamorro, E.; Chattaraj, P. K.; Fuentealba, P. J. Phys. Chem. A 2003, 107, 7068
41. Phukan, A. K.; Kalagi, R. P.; Gadre, S. R.; Jemmis, E. D. Inorg. Chem. 2004, 43, 5824
42. Schleyer, P. v. R.; Maerker, C.; Dransfeld, A.; Jiao, H.; Hommes, N. J. R. v. E. J. Am. Chem. Soc. 1996, 118, 6317
43. Iijima, S. Nature 1991, 354, 56
44. Chen, Z.; Wannere, C. S.; Corminboeuf, C.; Puchta, R.; Schleyer, P. v. R. Chem. Rev. 2005, 105, 3842
45. Havenith, R. W. A.; De Proft, F.; Fowler, P. W.; Geerlings, P. Chem. Phys. Lett. 2005, 407, 391
46. Foroutan-Najed, C.; Rashidi-Ranjbar, P. THEOCHEM 2009, 901, 243