Correlation between the out-of-plane components of magnetizability and central magnetic shielding in unsaturated cyclic molecules

Journal of Physical Chemistry A

Volumn 115, Issue 17, 2011, Pages 4553-4557

  Pelloni, Stefano ^a   Lazzeretti, Paolo ^a  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON RINGS; CLASSICAL MODEL; CYCLIC MOLECULES; ELECTRON FLOW; FIELD INDUCED; ISOELECTRONIC SYSTEMS; OUT-OF-PLANE COMPONENTS; RING CURRENTS; UNSATURATED HYDROCARBONS;

ELECTRON MOBILITY; HYDROCARBONS; MAGNETIC FIELDS; MAGNETIC SHIELDING;

MOLECULAR MECHANICS;

HYDROCARBON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MAGNETISM;

HYDROCARBONS, CYCLIC; MAGNETICS; MODELS, MOLECULAR;

EID: 79955548768     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp201272a     Document Type: Article

References (27)

1. von Ragué Schleyer, P.; Maerker, C.; Dransfeld, A.; Jiao, H.; van Eikema Hommes, N. J. R. J. Am. Chem. Soc. 1996, 118, 6317-6318
2. Stanger, A. J. Org. Chem. 2006, 71, 883-893
3. Jiménez-Halla, J. O. C.; Matito, E.; Robles, J.; Solà, M. J. Organomet. Chem. 2006, 691, 4359-4366
4. Foroutan-Nejad, C.; Shahbazian, S.; Rashidi-Ranjbar, P. Phys. Chem. Chem. Phys. 2010, 12, 12630-12637
5. Jensen, M. Ë.; Hansen, A. E. Adv. Quantum Chem. 1999, 35, 193-215
6. Lazzeretti, P. Phys. Chem. Chem. Phys. 2004, 6, 217-223
7. Corminboeuf, C.; Heine, T.; Seifert, G.; von Ragué Schleyer, P.; Weber, J. Phys. Chem. Chem. Phys. 2004, 6, 273-276
8. Pelloni, S.; Lazzeretti, P.; Zanasi, R. J. Phys. Chem. A 2007, 111, 8163-8169
9. Carion, R.; Champagne, B.; Monaco, G.; Zanasi, R.; Pelloni, S.; Lazzeretti, P. J. Chem. Theor. Comput. 2010, 6, 2002-2018
10. Jackson, J. D. Classical Electrodynamics, third ed.; John Wiley & Sons: New York, 1999; pp 175 178.
11. Arfken, G. B.; Weber, H. J. Mathematical Methods for Physicists, third ed.; Academic Press: New York, 1995; pp 730 731.
12. Bühl, M. Chem. - Eur. J. 1998, 4, 734-739
13. Jusélius, J.; Sundholm, D. Phys. Chem. Chem. Phys. 1999, 1, 3429-3435
14. Waugh, J. S.; Fessenden, R. W. J. Am. Chem. Soc. 1957, 79, 846-849
15. Ligabue, A.; Soncini, A.; Lazzeretti, P. J. Am. Chem. Soc. 2002, 124, 2008-2014
16. Jusélius, J.; Sundholm, D.; Gauss, J. J. Chem. Phys. 2004, 121, 3952-3963
17. Lin, Y.-C.; Jusélius, J.; Sundholm, D.; Gauss, J. J. Chem. Phys. 2005, 122, 214308 1-214308 9
18. Fliegl, H.; Sundholm, D.; Taubert, S.; Jusélius, J.; Klopper, W. J. Phys. Chem. A 2009, 113, 8668-8676
19. Monaco, G.; Zanasi, R. AIP Conf. Proc. 2009, 1148, 425-428
20. Monaco, G.; Zanasi, R.; Pelloni, S.; Lazzeretti, P. J. Chem. Theory Comput. 2010, 6, 3343-3351
21. Lazzeretti, P.; Malagoli, M.; Zanasi, R. Technical Report on Project Sistemi Informatici e Calcolo Parallelo, Research Report 1/67, CNR, 1991.
22. Lazzeretti, P.; Malagoli, M.; Zanasi, R. Chem. Phys. Lett. 1994, 220, 299-304
23. Zanasi, R.; Lazzeretti, P.; Malagoli, M.; Piccinini, F. J. Chem. Phys. 1995, 102, 7150-7157
24. Zanasi, R. J. Chem. Phys. 1996, 105, 1460-1469
25. Arrighini, G. P.; Maestro, M.; Moccia, R. J. Chem. Phys. 1968, 49, 882-889
26. Arrighini, G. P.; Maestro, M.; Moccia, R. J. Chem. Phys. 1970, 52, 6411-6415
27. Pelloni, S.; Ligabue, A.; Lazzeretti, P. Org. Lett. 2004, 6, 4451-4454