SCOPUS 정보 검색 플랫폼

Molecular Physics

Volumn 109, Issue 21, 2011, Pages 2543-2552

Theoretical study of the HXYH dimers (X,Y=O, S, Se). Hydrogen bonding and chalcogen-chalcogen interactions

(3) Sánchez Sanz, Goar a Alkorta, Ibon a Elguero, José a

a CSIC (Spain)

Author keywords

Chalcogen interaction; DFT SAPT; hydrogen bond; hydrogen peroxide; MP2

Indexed keywords

ATOMS IN MOLECULES; CHALCOGENS; DFT-SAPT; INTERACTION ENERGIES; ISOLATED MONOMERS; MOLECULAR ELECTROSTATIC POTENTIALS; MP2; OH GROUP; ROTATIONAL TRANSITION; THEORETICAL STUDY;

COMPLEXATION; HYDROGEN BONDS; HYDROGEN PEROXIDE; MONOMERS; STEREOCHEMISTRY;

DIMERS;

EID: 84856927585 PISSN: 00268976 EISSN: 13623028 Source Type: Journal
DOI: 10.1080/00268976.2011.621458 Document Type: Article

Times cited : (84)

References (66)

1
- 79960880477
- 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, 1637 (2011
- (2011) Pure Appl. Chem. , vol.83 , pp. 1637
- Arunan, E.¹ Desiraju, G.R.² Klein, R.A.³ Sadlej, J.⁴ Scheiner, S.⁵ Alkorta, I.⁶ Clary, D.C.⁷ Crabtree, R.H.⁸ Dannenberg, J.J.⁹ Hobza, P.¹⁰ Kjaergaard, H.G.¹¹ Legon, A.C.¹² Mennucci, B.¹³ Nesbitt, D.J.¹⁴

2
- 46049099321
- Springer, Berlin
- P. Metrangolo and G. Resnati, Halogen Bonding, Structural Bonding (Springer, Berlin, 2006), Vol. 126.
- (2006) Halogen Bonding Structural Bonding , vol.126
- Metrangolo, P.¹ Resnati, G.²

3
- 0001540253
- I. Rozas, I. Alkorta and J. Elguero, J. Phys. Chem. A 101, 4236 (1997
- (1997) J. Phys. Chem. A , vol.101 , pp. 4236
- Rozas, I.¹ Alkorta, I.² Elguero, J.³

4
- 33646152530
- S.J. Grabowski, W.A. Sokalski and J. Leszczynski, Chem. Phys. Lett. 422, 334 (2006
- (2006) Chem. Phys. Lett. , vol.422 , pp. 334
- Grabowski, S.J.¹ Sokalski, W.A.² Leszczynski, J.³

5
- 0000059867
- N. Furukawa, K. Kobayashi and S. Sato, J. Organomet. Chem. 611, 116 (2000
- (2000) J. Organomet. Chem. , vol.611 , pp. 116
- Furukawa, N.¹ Kobayashi, K.² Sato, S.³

6
- 0141645215
- P. Sanz, M. Yáñez and O. Mó, Chem. Eur. J. 9, 4548 (2003
- (2003) Chem. Eur. J. , vol.9 , pp. 4548
- Sanz, P.¹ Yáñez, M.² O. Mó³

7
- 0041845060
- P. Sanz, O. Móand M. Yáñez, Phys. Chem. Chem. Phys. 5, 2942 (2003
- (2003) Phys. Chem. Chem. Phys. , vol.5 , pp. 2942
- Sanz, P.¹ O. Mó² Yáñez, M.³

8
- 1942521097
- M. Iwaoka, H. Komatsu, T. Katsuda and S. Tomoda, J. Am. Chem. Soc. 126, 5309 (2004
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 5309
- Iwaoka, M.¹ Komatsu, H.² Katsuda, T.³ Tomoda, S.⁴

9
- 0031766283
- R.M. Minyaev and V.I. Minkin, Can. J. Chem. 76, 776 (1998
- (1998) Can. J. Chem. , vol.76 , pp. 776
- Minyaev, R.M.¹ Minkin, V.I.²

10
- 0037063541
- D.B. Werz, R. Gleiter and F. Rominger, J. Am. Chem. Soc. 124, 10638 (2002
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 10638
- Werz, D.B.¹ Gleiter, R.² Rominger, F.³

11
- 0037775718
- R. Gleiter, D.B. Werz and B.J. Rausch, Chem. Eur. J. 9, 2676 (2003
- (2003) Chem. Eur. J. , vol.9 , pp. 2676
- Gleiter, R.¹ Werz, D.B.² Rausch, B.J.³

12
- 33644654429
- C. Bleiholder, D.B. Werz, H. Köppel and R. Gleiter, J. Am. Chem. Soc. 128, 2666 (2006
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 2666
- Bleiholder, C.¹ Werz, D.B.² H. Köppel³ Gleiter, R.⁴

13
- 34047154491
- C. Bleiholder, R. Gleiter, D.B. Werz and H. Köppel, Inorg. Chem. 46, 2249 (2007
- (2007) Inorg. Chem. , vol.46 , pp. 2249
- Bleiholder, C.¹ Gleiter, R.² Werz, D.B.³ H. Köppel⁴

14
- 34250670274
- M. Esseffar, R. Herrero, E. Quintanilla, J.Z. Dávalos, P. Jiménez, J.L. Abboud, M. Yáñez and O. Mó, Chem. Eur. J. 13, 1796 (2007
- (2007) Chem. Eur. J. , vol.13 , pp. 1796
- Esseffar, M.¹ Herrero, R.² Quintanilla, E.³ Dávalos, J.Z.⁴ P. Jiménez⁵ Abboud, J.L.⁶ Yáñez, M.⁷ O. Mó⁸

15
- 84856851684
- Edited by F. Devillanova, Royal Society of Chemistry, Cambridge
- T. Shimizu and N. Kamigata, in Handbook of Chalcogen Chemistry - New Perspectives in Sulfur, Selenium and Tellurium, edited by F. Devillanova (Royal Society of Chemistry, Cambridge, 2007), p. 589.
- (2007) Handbook of Chalcogen Chemistry - New Perspectives in Sulfur, Selenium and Tellurium , pp. 589
- Shimizu, T.¹ Kamigata, N.²

16
- 0037028480
- K. Ruud and T. Helgaker, Chem. Phys. Lett. 352, 533 (2002
- (2002) Chem. Phys. Lett. , vol.352 , pp. 533
- Ruud, K.¹ Helgaker, T.²

17
- 0000420236
- P.L. Polavarapu, D.K. Chakraborty and K. Ruud, Chem. Phys. Lett. 319, 595 (2000
- (2000) Chem. Phys. Lett. , vol.319 , pp. 595
- Polavarapu, P.L.¹ Chakraborty, D.K.² Ruud, K.³

18
- 0037091188
- A. Ligabue, P. Lazzeretti, M.P.B. Varela and M.B. Ferraro, J. Chem. Phys. 116, 6427 (2002
- (2002) J. Chem. Phys. , vol.116 , pp. 6427
- Ligabue, A.¹ Lazzeretti, P.² Varela, M.P.B.³ Ferraro, M.B.⁴

19
- 39349104973
- M. Sánchez, M.B. Ferraro, I. Alkorta, J. Elguero and S.P.A. Sauer, J. Chem. Phys. 128, 64318 (2008
- (2008) J. Chem. Phys. , vol.128 , pp. 64318
- M. Sánchez¹ Ferraro, M.B.² Alkorta, I.³ Elguero, J.⁴ Sauer, S.P.A.⁵

20
- 0000331235
- O. Mó, M. Yañez, I. Rozas and J. Elguero, J. Chem. Phys. 100, 2871 (1994
- (1994) J. Chem. Phys. , vol.100 , pp. 2871
- O. Mó¹ M. Yañez² Rozas, I.³ Elguero, J.⁴

21
- 0002326521
- O. Mó, M. Yañez, I. Rozas and J. Elguero, Chem. Phys. Lett. 219, 45 (1994
- (1994) Chem. Phys. Lett. , vol.219 , pp. 45
- O. Mó¹ M. Yañez² Rozas, I.³ Elguero, J.⁴

22
- 0037044527
- I. Alkorta and J. Elguero, J. Chem. Phys. 117, 6463 (2002
- (2002) J. Chem. Phys. , vol.117 , pp. 6463
- Alkorta, I.¹ Elguero, J.²

23
- 33745459478
- K. Zborowski, I. Alkorta and J. Elguero, J. Phys. Chem. A 110, 7247 (2006
- (2006) J. Phys. Chem. A , vol.110 , pp. 7247
- Zborowski, K.¹ Alkorta, I.² Elguero, J.³

24
- 33746914419
- I. Alkorta, K. Zborowski and J. Elguero, Chem. Phys. Lett. 427, 289 (2006
- (2006) Chem. Phys. Lett. , vol.427 , pp. 289
- Alkorta, I.¹ Zborowski, K.² Elguero, J.³

25
- 33745434947
- M. Elango, R. Parthasarathi, V. Subramanian, C.N. Ramachandran and N. Sathyamurthy, J. Phys. Chem. A 110, 6294 (2006
- (2006) J. Phys. Chem. A , vol.110 , pp. 6294
- Elango, M.¹ Parthasarathi, R.² Subramanian, V.³ Ramachandran, C.N.⁴ Sathyamurthy, N.⁵

26
- 77955377994
- J.E. Del Bene, I. Alkorta and J. Elguero, Can. J. Chem. 88, 694 (2010
- (2010) Can. J. Chem. , vol.88 , pp. 694
- Del Bene, J.E.¹ Alkorta, I.² Elguero, J.³

27
- 84961979087
- D.M. Du, A.P. Fu and Z.Y. Zhou, Chem. Phys. Lett. 392, 162 (2004
- (2004) Chem. Phys. Lett. , vol.392 , pp. 162
- Du, D.M.¹ Fu, A.P.² Zhou, Z.Y.³

28
- 84961974091
- D. Du and Z. Zhou, Int. J. Quantum Chem. 106, 935 (2005
- (2005) Int. J. Quantum Chem. , vol.106 , pp. 935
- Du, D.¹ Zhou, Z.²

29
- 79959780964
- I. Alkorta, J. Elguero, P.F. Provasi, M.B. Ferraro, J. Phys. Chem. A 115, 7805 (2011
- (2011) J. Phys. Chem. A , vol.115 , pp. 7805
- Alkorta, I.¹ Elguero, J.² Provasi, P.F.³ Ferraro, M.B.⁴

30
- 0040058211
- R. Laitinen and T. Pakkanen, J. Mol. Struct. 91, 337 (1983
- (1983) J. Mol. Struct. , vol.91 , pp. 337
- Laitinen, R.¹ Pakkanen, T.²

31
- 0345817345
- R. Laitinen and T. Pakkanen, J. Mol. Struct. 124, 293 (1985
- (1985) J. Mol. Struct. , vol.124 , pp. 293
- Laitinen, R.¹ Pakkanen, T.²

32
- 85013586233
- R.S. Laitinen and R.J. Suontamo, Main Group Chem. 1, 241 (1996
- (1996) Main Group Chem. , vol.1 , pp. 241
- R.S. Laitinen¹ R.J. Suontamo²

33
- 34247155278
- D. Kaur, P. Sharma and P.V. Bharatam, Theochem 810, 31 (2007
- (2007) Theochem , vol.810 , pp. 31
- Kaur, D.¹ Sharma, P.² Bharatam, P.V.³

34
- 33748525537
- J. Seino, Y. Honda, M. Hada and H. Nakatsuji, J. Phys. Chem. A 110, 10053 (2006
- (2006) J. Phys. Chem. A , vol.110 , pp. 10053
- Seino, J.¹ Honda, Y.² Hada, M.³ Nakatsuji, H.⁴

35
- 2142701430
- I. Alkorta, O. Picazo and J. Elguero, J. Tetrahedron Asymm. 15, 1391 (2004
- (2004) J. Tetrahedron Asymm. , vol.15 , pp. 1391
- Alkorta, I.¹ Picazo, O.² Elguero, J.³

36
- 84982371241
- R. Steuder, Angew. Chem. 14, 655 (1975
- (1975) Angew. Chem. , vol.14 , pp. 655
- Steuder, R.¹

37
- 33845469298
- A. Rauk, J. Am. Chem. Soc. 106, 6517 (1984
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 6517
- Rauk, A.¹

38
- 0001408513
- E. Herbst and G. Winnewisser, Chem. Phys. Lett. 155, 572 (1989
- (1989) Chem. Phys. Lett. , vol.155 , pp. 572
- Herbst, E.¹ Winnewisser, G.²

39
- 6944251055
- C. Møller and M.S. Plesset, Phys. Rev. 46, 618 (1934
- (1934) Phys. Rev. , vol.46 , pp. 618
- C. Møller¹ Plesset, M.S.²

40
- 36549091139
- M.J. Frisch, J.A. Pople, R. Krishnam and J.S. Binkley, J. Chem. Phys. 80, 3265 (1984
- (1984) J. Chem. Phys. , vol.80 , pp. 3265
- Frisch, M.J.¹ Pople, J.A.² Krishnam, R.³ Binkley, J.S.⁴

41
- 84890021933
- S.F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.F.¹ Bernardi, F.²

43
- 0004157499
- The International Series of Monographs of Chemistry; edited by J. Halpen and M.L.H. Green Clarendon Press, Oxford
- R.F.W. Bader, Atoms in Molecules: A Quantum Theory; The International Series of Monographs of Chemistry; edited by J. Halpen and M.L.H. Green (Clarendon Press, Oxford, 1990
- (1990) Atoms in Molecules: A Quantum Theory
- Bader, R.F.W.¹

44
- 0003435922
- Prentice Hall
- P.L.A. Popelier, Atoms in Molecules: An Introduction (Prentice Hall, 2000
- (2000) Atoms in Molecules: An Introduction
- Popelier, P.L.A.¹

45
- 84986513726
- F.W. Bieger-Konig, R.F.W. Bader and T.H. Tang, J. Comput. Chem. 3, 317 (1982
- (1982) J. Comput. Chem. , vol.3 , pp. 317
- Bieger-Konig, F.W.¹ Bader, R.F.W.² Tang, T.H.³

46
- 0001352517
- P.L.A. Popelier, Chem. Phys. Lett. 228, 160 (1994
- (1994) Chem. Phys. Lett. , vol.228 , pp. 160
- Popelier, P.L.A.¹

47
- 0038078830
- G. Chalasiński and M.M. Szcześniak, Chem. Rev. 100, 4227 (2000
- (2000) Chem. Rev. , vol.100 , pp. 4227
- Chalasiński, G.¹ Szcześniak, M.M.²

48
- 77954858696
- Cardiff, UK
- H.J. Werner, P.-J. Knowles, F.R. Manby, M. Schütz, P. Celani, G. Knizia, T. Korona, R. Lindh, A. Mitrushenkov, G. Rauhut, T.B. Adler, R.D. Amos, A. Bernhardsson, A. Berning, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, E. Goll, C. Hampel, A. Hesselmann, G. Hetzer, T. Hrenar, G. Jansen, C. Köppl, Y. Liu, A.W. Lloyd, R.A. Mata, A,J, May, S.J. McNicholas, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, K. Pfüger, R. Pitzer, M. Reiher, T. Shiozaki, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson, M. Wang and A. Wolf, Molpro 2009, Cardiff, UK, 2010.
- (2010) Molpro 2009
- Werner, H.J.¹ Knowles, P.-J.² Manby, F.R.³ M. Schütz⁴ Celani, P.⁵ Knizia, G.⁶ Korona, T.⁷ Lindh, R.⁸ Mitrushenkov, A.⁹ Rauhut, G.¹⁰ Adler, T.B.¹¹ Amos, R.D.¹² Bernhardsson, A.¹³ Berning, A.¹⁴ Cooper, D.L.¹⁵ Deegan, M.J.O.¹⁶ Dobbyn, A.J.¹⁷ Eckert, F.¹⁸ Goll, E.¹⁹ Hampel, C.²⁰ more..

49
- 0030936892
- R. Steudel, Y. Drozdova, K. Miaskiewicz, R.H. Hertwing and W. Koch, J. Am. Chem. Soc. 118, 1990 (1997
- (1997) J. Am. Chem. Soc. , vol.118 , pp. 1990
- Steudel, R.¹ Drozdova, Y.² Miaskiewicz, K.³ Hertwing, R.H.⁴ Koch, W.⁵

50
- 0000218830
- R.A.J. O'Hair, C.H. DePuy and V.M. Bierbaum, J. Phys. Chem. 97, 7955 (1993
- (1993) J. Phys. Chem. , vol.97 , pp. 7955
- O'Hair, R.A.J.¹ DePuy, C.H.² Bierbaum, V.M.³

51
- 0000677548
- M. Solá, C. Gonzalez, G. Tonachini and H.V. Schlegel, Theor. Chim. Acta, 77, 281 (1990
- (1990) Theor. Chim. Acta , vol.77 , pp. 281
- Solá, M.¹ Gonzalez, C.² Tonachini, G.³ Schlegel, H.V.⁴

52
- 57749104811
- P.A. Denis, Mol. Phys. 106, 2557 (2008
- (2008) Mol. Phys. , vol.106 , pp. 2557
- Denis, P.A.¹

53
- 84856816319
- C. Wen-Kai, Y. Ying-Chun, L. Jun-Qian, Y. Zhi-Xiang and Y. Huai-Ji, Chinese J. Struct. Chem. 24, 104 (2005
- (2005) Chinese J. Struct. Chem. , vol.24 , pp. 104
- C. Wen-Kai¹ Y. Ying-Chun² L. Jun-Qian³ Y. Zhi-Xiang⁴ Huai-Ji, Y.⁵

54
- 0037108156
- Z. Benkova, J. Kona, G. Gann and W.M.F. Fabian, Int. J. Quant. Chem. 90, 555 (2002
- (2002) Int. J. Quant. Chem. , vol.90 , pp. 555
- Benkova, Z.¹ Kona, J.² Gann, G.³ Fabian, W.M.F.⁴

55
- 33846395259
- R.L. Redington, W.B. Olson and P.C. Cross, J. Chem. Phys. 36, 1311 (1962
- (1962) J. Chem. Phys. , vol.36 , pp. 1311
- Redington, R.L.¹ Olson, W.B.² Cross, P.C.³

56
- 33747183676
- O. Baum, S. Esser, N. Gierse, S. Brünken, F. Lewen, J. Hahn, J. Gauss, S. Schlemmer and T.F. Giesen, J. Mol. Struc. 795, 256 (2006
- (2006) J. Mol. Struc. , vol.795 , pp. 256
- Baum, O.¹ Esser, S.² Gierse, N.³ S. Brünken⁴ Lewen, F.⁵ Hahn, J.⁶ Gauss, J.⁷ Schlemmer, S.⁸ Giesen, T.F.⁹

57
- 36849103653
- G. Winnewisser, M. Winnewisser and W. Gordy, J. Chem. Phys. 49, 3465 (1968
- (1968) J. Chem. Phys. , vol.49 , pp. 3465
- Winnewisser, G.¹ Winnewisser, M.² Gordy, W.³

58
- 0001408513
- E. Herbst and G. Winnewisser, Chem. Phys. Lett. 155, 572 (1989
- (1989) Chem. Phys. Lett. , vol.155 , pp. 572
- Herbst, E.¹ Winnewisser, G.²

59
- 0001720702
- D.A. Dixon, D.J. Zeroka, J.J. Wendoloski and Z.R. Wasserman, J. Chem. Phys. 89, 5334 (1985
- (1985) J. Chem. Phys. , vol.89 , pp. 5334
- Dixon, D.A.¹ Zeroka, D.J.² Wendoloski, J.J.³ Wasserman, Z.R.⁴

60
- 0034298371
- M.L. Senent, Y. G. Smeyers, R. Domnguez-Gomez, A. Arroyo and S. Fernandez-Herrera, J. Mol. Spectrosc, 203, 209 (2000
- (2000) J. Mol. Spectrosc , vol.203 , pp. 209
- Senent, M.L.¹ Smeyers, Y.G.² R. Domnguez-Gomez³ Arroyo, A.⁴ S. Fernandez-Herrera⁵

61
- 0003824417
- Plenum Press, New York
- P. Politzer and D.G. Truhlar, Chemical Applications of Atomic and Molecular Electrostatic Potentials (Plenum Press, New York, 1981
- (1981) Chemical Applications of Atomic and Molecular Electrostatic Potentials
- Politzer, P.¹ Truhlar, D.G.²

62
- 79953893336
- P.P. Zhou, W.Y. Qiu, S. Liu and N.Z. Jin, Phys. Chem. Chem. Phys. 13, 7408 (2011
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 7408
- Zhou, P.P.¹ Qiu, W.Y.² Liu, S.³ Jin, N.Z.⁴

63
- 0003653494
- Oxford Science Publications, Oxford
- G.R. Desiraju, T. Steiner, The Weak Hydrogen Bond in Structural Chemistry and Biology (Oxford Science Publications, Oxford, 1999
- (1999) The Weak Hydrogen Bond in Structural Chemistry and Biology
- Desiraju, G.R.¹ Steiner, T.²

64
- 0141789771
- O. Picazo, I. Alkorta and J. Elguero, J. Org. Chem. 68, 7485 (2003
- (2003) J. Org. Chem. , vol.68 , pp. 7485
- Picazo, O.¹ Alkorta, I.² Elguero, J.³

65
- 77149150315
- I. Mata, I. Alkorta, E. Molins and E. Espinosa, Chem. Eur. J. 16, 2442 (2010
- (2010) Chem. Eur. J. , vol.16 , pp. 2442
- Mata, I.¹ Alkorta, I.² Molins, E.³ Espinosa, E.⁴

66
- 0038080518
- Cambridge University Press, Cambridge
- F. Weinhold and C.R. Landis, Valence and Bonding (Cambridge University Press, Cambridge, 2005).
- (2005) Valence and Bonding
- Weinhold, F.¹ Landis, C.R.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.