Complexes between hypohalous acids and phosphine derivatives. Pnicogen bond versus halogen bond versus hydrogen bond

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 132, Issue , 2014, Pages 271-277

  Li, Qingzhong ^a   Zhu, Hongjie ^a   Zhuo, Hongying ^a   Yang, Xin ^a   Li, Wenzuo ^a   Cheng, Jianbo ^a  

^a YANTAI UNIVERSITY   (China)

Author keywords

Halogen bonds; Hydrogen bonds; Hypohalous acids; Phosphine derivatives; Pnicogen bonds

Indexed keywords

BROMINE; CHLORINE COMPOUNDS; COMPLEXATION; DOPPLER EFFECT; PHOSPHORUS COMPOUNDS;

AB INITIO CALCULATIONS; HALOGEN BONDS; HYPOHALOUS ACIDS; INTERACTION ENERGIES; MOLECULAR ELECTROSTATIC POTENTIALS; NON-COVALENT INTERACTION; PHOSPHINE DERIVATIVE; PNICOGENS;

HYDROGEN BONDS;

HALOGEN; PHOSPHINE; PHOSPHINE DERIVATIVE;

CHEMISTRY; HYDROGEN BOND; STATIC ELECTRICITY; THERMODYNAMICS;

HALOGENS; HYDROGEN BONDING; PHOSPHINES; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84901634933     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2014.05.001     Document Type: Article

References (70)

1. S. Scheiner Hydrogen Bonding: A Theoretical Perspective 1997 Oxford University Press New York
2. G.A. Jeffrey An Introduction to Hydrogen Bonding 1997 Oxford University Press New York
3. R. Custelcean, and J.E. Jackson Chem. Rev. 101 2001 1963 1980
4. P. Politzer, and J.S. Murray ChemPhysChem 14 2013 278 294
5. S. Scheiner Acc. Chem. Res. 46 2013 280 288
6. E. Arunan, G.R. Desiraju, R.A. Klein, J. Sadlej, S. Scheiner, I. Alkorta, D.C. Clary, R.H. Crabtree, J.J. Dannenberg, P. Hobza, H.G. Kjaergaard, A.C. Legon, B. Mennucci, and D.J. Nesbitt Pure Appl. Chem. 83 2011 1637 1641
7. L.C. Gilday, T. Lang, A. Caballero, P.J. Costa, V. Felix, and P.D. Beer Angew. Chem. Int. Ed. 52 2013 4356 4360
8. A.V. Jentzsch, and S. Matile J. Am. Chem. Soc. 135 2013 5302 5303
9. H.R. Khavasi, and A.A. Tehrani Inorg. Chem. 52 2013 2891 2905
10. J.E. Ormond-Prout, P. Smart, and L. Brammer Cryst. Growth Des. 12 2012 205 216
11. H.S. El-Sheshtawy, B.S. Bassil, K.I. Assaf, U. Kortz, and W.M. Nau J. Am. Chem. Soc. 134 2012 19935 19941
12. L. Meazza, J.A. Foster, K. Fucke, P. Metrangolo, G. Resnati, and J.W. Steed Nat. Chem. 5 2013 42 47
13. M.G. Sarwar, B. Dragisic, S. Sagoo, and M.S. Taylor Angew. Chem. Int. Ed. 49 2010 1674 1677
14. P. Metrangolo, J.S. Murray, T. Pilati, P. Politzer, G. Resnati, and G. Terraneo CrystEngCommun 13 2011 6593 6596
15. P. Auffinger, F.A. Hays, E. Westhof, and P.S. Ho Proc. Natl. Acad. Sci. USA 101 2004 16789 16794
16. G.R. Desiraju, P.S. Ho, L. Kloo, A.C. Legon, R. Marquardt, P. Metrangolo, P. Politzer, G. Resnati, and K. Rissanen Pure Appl. Chem. 85 2013 1711 1713
17. U. Adhikari, and S. Scheiner J. Phys. Chem. A 116 2012 3487 3497
18. J.E. Del Bene, I. Alkorta, G. Sánchez-Sanz, and J. Elguero J. Phys. Chem. A 115 2011 13724 13731
19. S. Scheiner J. Phys. Chem. A 115 2011 11202 11209
20. S. Scheiner Chem. Phys. 387 2011 79 84
21. S. Scheiner J. Chem. Phys. 134 2011 094315 094323
22. M. Solimannejad, M. Gharabaghi, and S. Scheiner J. Chem. Phys. 134 2011 024312 043217
23. J.E. Del Bene, I. Alkorta, G. Sánchez-Sanz, and J. Elguero Chem. Phys. Lett. 534 2012 14 18
24. J.E. Del Bene, I. Alkorta, G. Sánchez-Sanz, and J. Elguero J. Phys. Chem. A 116 2012 3056 3060
25. J.E. Del Bene, I. Alkorta, G. Sánchez-Sanz, and J. Elguero Chem. Phys. Lett. 512 2011 184 187
26. S. Scheiner Int. J. Quantum Chem. 113 2013 1609 1620
27. S. Scheiner CrystEngCommun 15 2013 3119 3124
28. S.J. Grabowski, I. Alkorta, and J. Elguero J. Phys. Chem. A 117 2013 3243 3251
29. I. Alkorta, G. Sánchez-Sanz, J. Elguero, and J.E. Del Bene J. Phys. Chem. A 117 2013 183 191
30. I. Alkorta, J. Elguero, and J.E. Del Bene J. Phys. Chem. A 117 2013 4981 4987
31. J.E. Del Bene, I. Alkorta, G. Sánchez-Sanz, and J. Elguero J. Phys. Chem. A 117 2013 3133 3141
32. Q.Z. Li, R. Li, X.F. Liu, W.Z. Li, and J.B. Cheng ChemPhysChem 13 2012 1205 1212
33. Q.Z. Li, R. Li, X.F. Liu, W.Z. Li, and J.B. Cheng J. Phys. Chem. A 116 2012 2547 2553
34. S. Zahn, R. Frank, E. Hey-Hawkins, and B. Kirchner Chem. Eur. J. 17 2011 6034 6038
35. A. Bauza, D. Quinonero, P.M. Deyaa, and A. Frontera Phys. Chem. Chem. Phys. 14 2012 14061 14066
36. J.S. Francisco, and S.P. Sander J. Chem. Phys. 99 1993 6219 6220
37. M.J. Molina, and F.S. Rowland Nature 249 1974 810 812
38. F.S. Rowland, and M.J. Molina Rev. Geophys. Space Phys. 13 1975 1 35
39. E. Thomas Infect. Immun. 23 1979 522 531
40. Z.F. Zhang, J. Shen, N.Z. Jin, L.P. Chen, and Z.Y. Yang Comput. Theor. Chem. 999 2012 48 54
41. J.J. Panek, and S. Berski Chem. Phys. Lett. 467 2008 41 45
42. H. Roohi, A. Nowroozi, and F. Eshghi Int. J. Quantum Chem. 110 2010 1489 1499
43. M. Solimannejad, and I. Alkorta Chem. Phys. Lett. 454 2008 201 206
44. K. Yuan, Y.Z. Liu, Y.C. Zhu, J. Zhang, and J.Y. Zhang Acta Chin. Sin. 67 2009 499 506
45. K. Yuan, Y.Z. Liu, L.L. Lue, and W.C. Ma Acta Chin. Sin. 24 2008 1257 1263
46. K. Yuan, Y.Z. Liu, W.C. Ma, H.A. Tang, Y.C. Zhu, and J. Zhang Chi. J. Chem. 27 2009 900 906
47. Z.F. Li, X.Y. Wang, H.A. Tang, Y.C. Zhu, and H.Y. Li Chem. J. Chin. Univ. 30 2009 92 95
48. Z.F. Li, H.Y. Li, Y.Z. Liu, X.N. Shi, and H.A. Tang Chin. Chem. Bull. 54 2009 3014 3022
49. I. Alkorta, F. Blanco, M. Solimannejad, and J. Elguero J. Phys. Chem. A 112 2008 10856 10863
50. Q.Z. Li, X.S. Xu, T. Liu, B. Jing, W.Z. Li, J.B. Cheng, B.A. Gong, and J.Z. Sun Phys. Chem. Chem. Phys. 12 2010 6837 6843
51. Q.Z. Li, B. Jing, R. Li, Z.B. Liu, W.Z. Li, F. Luan, J.B. Cheng, B.A. Gong, and J.Z. Sun Phys. Chem. Chem. Phys. 13 2011 2266 2271
52. Q.Z. Li, J.L. Zhao, B. Jing, R. Li, W.Z. Li, and J.B. Cheng J. Comput. Chem. 32 2011 2432 2440
53. F. Blanco, I. Alkorta, M. Solimannejad, and J. Elguero J. Phys. Chem. A 113 2009 3237 3244
54. Q. Zhao, D. Feng, Y. Sun, J. Hao, and Z. Cai J. Mol. Model. 17 2011 1935 1939
55. A. Zabaradsti, A. Kakanejadifard, and M. Ghasemian Comput. Theor. Chem. 989 2012 1 6
56. M.J. Frisch, G.W. Trucks, and H.B. Schlegel et al. Gaussian 09 (Revision A.02) 2009 Gaussian Inc. Wallingford, CT
57. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553 566
58. F.A. Bulat, A. Toro-Labbé, T. Brinck, J.S. Murray, and P. Politzer J. Mol. Model. 16 2010 1679 1691
59. A.E. Reed, L.A. Curtiss, and F. Weinhold Chem. Rev. 88 1988 89 926
60. R.F.W. Bader Atoms in Molecules: A Quantum Theory 1990 Oxford University Press Oxford, UK
61. T. Lu, and F. Chen J. Comput. Chem. 33 2012 580 592
62. W. Humphrey, A. Dalke, and K. Schulten J. Mol. Graph. 14 1996 33 38
63. J.B. Cheng, R. Li, Q.Z. Li, B. Jing, Z.B. Liu, W.Z. Li, B.A. Gong, and J.Z. Sun J. Phys. Chem. A 114 2010 10320 10325
64. A.J. Stone J. Am. Chem. Soc. 135 2013 7005 7009
65. J. Contreras-García, E.R. Johnson, S. Keinan, R. Chaudret, J.P. Piquemal, D.N. Beratan, and W.T. Yang J. Chem. Theory Comput. 7 2011 625 632
66. E.R. Johnson, S. Keinan, P. Mori-Sanchez, J. Contreras-Garcia, A.J. Cohen, and W.T. Yang J. Am. Chem. Soc. 132 2010 6498 6506
67. B. Pinter, N. Nagels, W.A. Herrebout, and F.D. Proft Chem. Eur. J. 19 2013 519 530
68. S. Kozuch, and J.M.L. Martin J. Chem. Theory Comput. 9 2013 1918 1931
69. J. Contreras-García, W.T. Yang, and E.R. Johnson J. Phys. Chem. A 115 2011 12983 12990
70. K.E. Riley, and P. Hobza J. Chem. Theory Comput. 4 2008 232 242