A theoretical analysis of the packing and polymorphism of the 2-hydro nitronyl nitroxide crystal

Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals

Volumn 305, Issue , 1997, Pages 129-141

  Novoa, Juan J ^a   Deumal, Merce ^a   Kinoshita, Minoru ^b   Hosokishi, Yuko ^c   Veciana, Jaume ^d   Cirujeda, Joan ^d  

^a UNIVERSITY OF BARCELONA   (Spain)

^b TOKYO UNIVERSITY OF SCIENCE   (Japan)

^c UNIVERSITY OF TOKYO   (Japan)

^d INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA ICMAB CSIC   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; MAGNETISM; MOLECULES; NUMERICAL ANALYSIS; PACKING; STABILITY;

2 HYDRO NITRONYL NITROXIDE; AB INITIO METHODOLOGY; POLYMORPHISM;

MOLECULAR CRYSTALS;

EID: 0011741424     PISSN: 1058725X     EISSN: None     Source Type: Journal    
DOI: 10.1080/10587259708045051     Document Type: Article

References (17)

1. (a) H. M. McConnell, J. Chem. Phys. 39, 1910 (1963)
2. (b) McConnell, H. M. Proc. Robert A. Welch Found. Conf. Chem. Res. 11, 144(1967).
3. (c) M. Kinoshita, Jpn. J. Appl. Phys., 33, 5718 (1994) and references therein.
4. (d) O. Kahn, Molecular Magnetism. (VCH Publishers, New York, 1993).
5. (e) J. S.Miller; A. J. Epstein, Angew. Chem. Int. Ed. Engl., 33, 385 (1994).
6. J. J. Novoa and M. Deumal, Mol. Cryst. and Liq. Cryst., this issue.
7. (a) H. Tamura, Y. Nakazawa, D. Shiomi, K. Nozawa, Y. Hosokoshi, M. Ishikawa, M. Takahashi, M. Kinoshita, Chem. Phys. Lett., 186, 401 (1991).
8. (b) R. Chiarelli, M. A. Novak, A. Rassat, J. L. Tholence, J. L. Nature (London), 363, 147 (1993).
9. (c) T. Tomioka, H. Ishida, H. Yoshikawa, M. Yami, F. Iwasaki, H. Iwamura, N. Takeda, M. Ishikawa, Chem. Lett., 29 (1994).
10. (d) T. Sugawara, M. M. Matsushita, A. Izouka, N. Wada, N. Takeda, M. Ishikawa, J. Chem. Soc., Chem. Commun., 1723 (1994).
11. (e) J. Cirujeda, M. Mas, E. Molins, F. Lanfranc de Pauthou, J. Laugier, J.-G. Park, C. Paulsen, P. Rey, C. Rovira, J. Veciana, J. Chem. Soc., Chem. Commun., 709 (1995).
12. Y. Hosokoshi, M. Tamura, K. Nozawa, S. Suzuki, H. Sawa, R. Kato and M. Kinoshita., Mol. Cryst. and Liq. Cryst., 115, 271 (1995).
13. G. C. Maitland, M. Rigby, E. Brian Smith and W. A. Wakeham, Intermolecular Forces. (Clarendon Press, Oxford, 1981).
14. J. Bernstein, M. C. Etter and L. Leiserowitz, in Structure Correlation, edited by H.-B. Burgi and J. D. Dunitz (VCH, Weinheim, 1994), Chap. 11.
15. (a) E. Scrocco, J. Tomasi, Adv. Quantum Chem., 11, 115 (1978).
16. (b) P. Politzer, J. S. Murray, Rev. Comput. Chem., 2, 273 (1991).
17. J. J. Novoa and M. Deumal, unpublished computations.