Inorganic salts of biguanide - Searching for new materials for second harmonic generation

Journal of Molecular Structure

Volumn 886, Issue 1-3, 2008, Pages 103-120

  Matulková, Irena ^a   Němec, Ivan ^a   Císařová, Ivana ^a   Němec, Petr ^a   Mička, Zdeněk ^a  

^a CHARLES UNIVERSITY   (Czech Republic)

Author keywords

B3LYP; Biguanidium(1+) phosphite trihydrate; Biguanidium(2+) carbonate monohydrate; Biguanidium(2+) hydrogen phosphate monohydrate; Biguanidium(2+) nitrate; Biguanidium(2+) phosphite monohydrate; Crystal structure; HF; MP2; Second harmonic generation; Vibrational spectra

Indexed keywords

NONLINEAR OPTICS; PHOSPHORUS; SALTS; STRUCTURAL ANALYSIS;

INORGANIC SALTS; NEW MATERIALS; NOVEL COMPOUNDS; SECOND HARMONIC GENERATION (SHG); TRICLINIC SPACE GROUPS; X RAY STRUCTURAL ANALYSIS;

HARMONIC GENERATION;

EID: 47849093145     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.11.015     Document Type: Article

References (45)

1. Marchi A., Marvelli L., Cattabriga M., Rossi R., Neves M., Bertolasi V., and Ferretti V. J. Chem. Soc., Dalton Trans. (1999) 1937
2. Ray P. Chem. Rev. 61 (1961) 313
3. Sirtori C.R., and Pasik C. Pharmacol. Res. 30 (1994) 187
4. Clement B., and Girreser U. Magn. Reson. Chem. 37 (1999) 662
5. Thompson K.H., McNeill J.H., and Orvig C. Chem. Rev. 99 (1999) 2561
6. Ross S.A., Gulve E.A., and Wang M. Chem. Rev. 104 (2004) 1255
7. Woo L.C.Y., Yuen V.G., Thompson K.H., McNeill J.H., and Orvig C. J. Inorg. Biochem. 76 (1999) 251
8. Watkins W.M., Chulay J.D., Sixsmith D.G., Spencer H.C., and Howells R.E. J. Pharm. Pharmacol. 39 (1987) 261
9. Morain P., Abraham C., Portevin B., and De Nanteuil G. Mol. Pharmacol. 46 (1994) 732
10. Shapiro S.L., Parrino V.A., Rogow E., and Freedman L. J. Am. Chem. Soc. 81 (1959) 3725
11. Shapiro S.L., Parrino V.A., and Freedman L. J. Am. Chem. Soc. 81 (1959) 2220
12. Anderson K.B., Franich R.A., Kroese H.W., and Meder R. Polyhedron 14 (1995) 1149
13. Bolotina N.B., Hardie M.J., and Pinkerton A.A. J. Appl. Cryst. 36 (2003) 1334
14. Martin A., Pinkerton A.A., Gilardi R.D., and Bottaro J.C. Acta Crystallogr. B: Struct. Sci. 53 (1997) 504
15. Zhurova E.A., Martin A., and Pinkerton A.A. J. Am. Chem. Soc. 124 (2002) 8741
16. Zyss J., Pecaut J., Levy J.P., and Masse R. Acta Crystallogr. B 49 (1993) 334
17. Aakeröy C.B., Hitchcock P.B., Moyle B.D., and Seddon K.R. J. Chem. Soc. Chem. Commun. 23 (1989) 1856
18. Aakeröy C.B., and Seddon K.R. Chem. Soc. Rev. 22 6 (1993) 397
19. Xue D., and Zhang S. J. Phys. Chem. Solids 57 (1996) 1321
20. Xue D., and Zhang S. J. Phys. Chem. A 101 (1997) 5547
21. Martin A., Pinkerton A.A., and Schiemann A. Acta Cryst. C52 (1996) 966
22. Martin A., and Pinkerton A.A. Acta Cryst. C52 (1996) 1048
23. Pinkerton A.A., and Schwarzenbach D. J. Chem. Soc. Dalton (1978) 989
24. Ernst S.R. Acta Crystallogr. B: Struct. Crystallogr. Cryst. Chem. B33 (1977) 237
25. Adams J.M., and Pritchard R.G. J. Appl. Cryst. 8 (1975) 392
26. Ratajczak H., Baran J., Barycki J., Debrus S., May M., Pietraszko A., Ratajczak H.M., Tramer A., and Venturini J. J. Mol. Struct. 555 (2000) 149
27. Glowiak T., Debrus S., May M., Barnes A.J., and Ratajczak H. J. Mol. Struct. 596 (2001) 77
28. Shelton D.P., and Rice J.E. Chem. Rev. 94 (1994) 3
29. Castiglioni C., Del-Zoppo M., and Zerbi G. Phys. Rev. B 53 (1996) 13319
30. Bishop D.M., and Kirtman B. Rev. B 56 (1997) 2273
31. Castiglioni C., Del-Zoppo M., and Zerbi G. Phys. Rev. B 56 (1997) 2275
32. Bishop D.M., Champagne B., and Kirtman B. J. Chem. Phys. 109 (1998) 9987
33. Söntjens S.H.M., Meijer J.T., Kooijman H., Spek A.L., van Genderen M.H.P., Sijbesma R.P., and Meijer E.W. Org. Lett. 24 3 (2001) 3887
34. Altomare A., Burla M.C., Camalli M., Cascarano G., Giacovazzo C., Guagliardi A., and Polidori G. SIR97 - J. Appl. Crystallogr. 27 (1994) 435
35. Sheldrick G.M. SHELXL 97. Program for Refinement from Diffraction Data (1997), University of Göttingen Germany, Göttingen
36. Gaussian 98, Revision A.11, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J.J. Dannenberg, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, 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, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, and J.A. Pople, Gaussian, Inc., Pittsburgh PA, 2001.
37. GaussViewW, version 2.1, Gaussian, Inc., Pittsburgh, PA, 2001.
38. NIST Computational Chemistry Comparison and Benchmark DataBase, NIST Standard Reference Database Number 101 Release 10, May 2004, Editor: Russell D. Johnson III, http://srdata.nist.gov/cccbdb/vibscalejust.asp.
39. Spek A.L. J. Appl. Cryst. 36 (2003) 7
40. Tsuboi M. J. Am. Chem. Soc. (1957) 1351
41. Baran J., Ilczyszyn M.M., Sledz M., and Ratajczak H. J. Mol. Struct. 526 (2000) 235
42. Ghule A., Bhongale Ch., and Chang H. Spectrochim. Acta A59 (2003) 1529
43. Hadrich A., Lautié A., Mhiri T., and Romain F. Vib. Spectrosc. 26 (2001) 51
44. Lautié A., Froment F., and Novak A. Spectrosc. Lett. 9 (1976) 289
45. Novak A. Struct. Bonding 18 (1973) 177