72
Views
1
CrossRef citations to date
0
Altmetric
Articles

Mimicking the electronic structure of endohedral triangular lanthanide clusters in “free” from host carbon cages metallofullerenes uncovers a peculiar reactivity pattern

&
Pages 2550-2563 | Received 09 May 2014, Accepted 27 Jun 2014, Published online: 18 Aug 2014

References

  • (a) M.N. Chaur, F. Melin, A.L. Ortiz, L. Echegoyen. Angew. Chem., Int. Ed., 48, 7514 (2009); (b) A. Rodriguez-Fortea, A.L. Balch, J.M. Poblet. Chem. Soc. Rev., 40, 3551 (2011); (c) A.A. Popov, S.M. Avdoshenko, A. Pendas, L. Dunsch. Chem. Commun., 48, 8031 (2012); (d) A.A. Popov, S.F. Yang, L. Dunsch. Chem. Rev., 113, 5989 (2013).10.1002/anie.v48:41
  • (a) S.F. Yang, L. Dunsch. Angew. Chem., Int. Ed., 45, 1299 (2006); (b) N. Tagmatarchis, E. Aslanis, K. Prassides, H. Shinohara. Chem. Mater., 13, 2374 (2001); (c) Y.F. Lian, Z.J. Shi, X.H. Zhou, Z.N. Gu. Chem. Mater., 16, 1704 (2004); (d) A.A. Popov, L. Zhang, L. Dunsch. ACS Nano, 4, 795 (2010).10.1002/(ISSN)1521-3773
  • W. Xu, L. Feng, M. Calvaresi, J. Liu, Y. Liu, B. Niu, Z.J. Shi, Y.F. Lian, F. Zerbetto. J. Am. Chem. Soc., 135, 4187 (2013).10.1021/ja400490u
  • Q. Deng, A.A. Popov. J. Am. Chem. Soc., 136, 4257 (2014).10.1021/ja4122582
  • M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision E.01, Gaussian, Inc., Wallingford, CT (2004).
  • (a) M. Ernzerhof, G.E. Scuseria. J. Chem. Phys., 110, 5029 (1999); (b) C. Adamo, V. Barone. Chem. Phys. Lett., 274, 242 (1997); (c) C. Adamo, V. Barone. J. Chem. Phys., 110, 6160 (1999); (d) C. Adamo, G.E. Scuseria, V. Barone. J. Chem. Phys., 111, 2889 (1999); (e) C. Adamo, V. Barone. Theor. Chem. Acc., 105, 169 (2000); (f) V. Veter, C. Adamo, P. Maldivi. Chem. Phys. Lett., 325, 99 (2000); (g) C. Adamo, V. Barone. J. Comput. Chem., 21, 1153 (2000); (h) X. Wang, L. Andrews, I. Infante, L. Gagliardi. J. Phys. Chem. A, 113, 12566 (2009); (i) B. Vlaisavljevich, P. Miro, C.J. Cramer, L. Gagliardi, I. Infante, S.T. Liddle. Chem. Eur. J., 17, 8424 (2011); (j) M.J. Polinski, D.J. Grant, S. Wang, E.V. Alekseev, J.N. Cross, E.M. Villa, W. Depmeier, L. Gagliardi, T.E. Albrecht-Schmitt. J. Am. Chem. Soc., 134, 10682 (2012).10.1063/1.478401
  • (a) D.E. Pantazis, F. Neese. J. Chem. Theory Comput., 5, 2229 (2009); (b) EMSL basis set exchange. Available online at: https://bse.pnl.gov/bse/portal ( accessed 05 March 2013).10.1021/ct900090f
  • (a) A.E. Reed, L.A. Curtiss, F. Weinhold. Chem. Rev., 88, 899 (1998); (b) F. Weinhold, In The Encyclopedia of Computational Chemistry, P.V.R. Schleyer (Ed.), pp. 1792–1811, John Wiley & Sons, Chichester (1998).
  • T. Lu, F. Chen. J. Comput. Chem., 33, 580 (2012).10.1002/jcc.v33.5
  • M. Dolg, H. Stoll, H. Preuss. J. Mol. Struct. (Theochem), 277, 239 (1992).10.1016/0166-1280(92)87142-M
  • L. Xu, S.-F. Li, L.-H. Gan, C.-Y. Shu, C.-R. Wang. Chem. Phys. Lett., 521, 81 (2012).10.1016/j.cplett.2011.11.011
  • S. Stevenson, H.M. Lee, M.M. Olmstead, C. Kozikowski, P. Stevenson, A.L. Balch. Chem. Eur. J., 8, 4528 (2002).10.1002/1521-3765(20021004)8:19<4528::AID-CHEM4528>3.0.CO;2-8

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.