Ca2+ Reactivity in the Gas Phase. Bonding, Catalytic Effects and Coulomb Explosions

Challenges and Advances in Computational Chemistry and Physics

Volumn 12, Issue , 2010, Pages 1-33

  Corral, Inés ^a   Trujillo, Cristina ^a   Salpin, Jean Yves ^b,c   Yáñez, Manuel ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^b CNRS   (France)

^c UNIVERSITÉ D EVRY VAL D ESSONNE   (France)

Author keywords

Alkaline earth dications; Bonding; Catalytic effects; Coulomb explosions; Mass spectrometry; Reactivity; Theoretical calculations

Indexed keywords

EID: 80051721244     PISSN: 25424491     EISSN: 25424483     Source Type: Book Series    
DOI: 10.1007/978-90-481-3034-4_1     Document Type: Chapter

References (134)

1. Weeds A (1982) Nature 296:811–816
2. Sigel H, Sigel A (eds) (1988) Nickel and its role in biology, vol 23. Marcel Dekker, New York
3. Sigel H (1993) Chem Soc Rev 22:255–267
4. Illangasekare M, Sanchez G, Nickles T, Yarus M (1995) Science 267:643–647
5. Sigel H, Sigel A (eds) (1996) Interactions of metal ions with nucleotides: nucleic acids, and their constituents, vol 32. Marcel Dekker, New York
6. Sigel H, Sigel A (eds) (1996) Probing of nucleic acids by metal ion complexes of small molecules, vol 33. Marcel Dekker, New York
7. Herlitze S, Garcia DE, Mackie K, Hille B, Scheuer T, Catterall WA (1996) Nature 380:258–262
8. Lis H, Sharon N (1998) Chem Rev 98:637–674
9. Babu CS, Dudev T, Casareno R, Cowan JA, Lim C (2003) J Am Chem Soc 125:9318–9328
10. Mank M, Griesbeck O (2008) Chem Rev 108:1550–1564
11. Caputo A, Caci E, Ferrera L, Pedemonte N, Barsanti C, Sondo E, Pfeffer U, Ravazzolo R, Zegarra-Moran O, Galietta LJV (2008) Science 322:590–594
12. Jia X, Marzilli LG (1991) Biopolymers 31:23–44
13. Silver PJ (1985) Rev Clim Basic Pharm 5:341–395
14. Ashley CC, Griffiths PJ, Lea TJ, Mulligan IP, Palmer RE, Simnett SJ (1993) Rev Phys Biochem Pharmacol 122:149–258
15. Kang S, Wells RD (1992) J Biol Chem 267:20887–20891
16. Malkov VA, Voloshin ON, Soyfer VN, Frankkamenetskii MD (1993) Nucl Acids Res 21:585–591
17. Potaman VN, Soyfer VN (1994) J Biomol Struct Dyn 11:1035–1040
18. Noonberg SB, Francois JC, Garestier T, Helene C (1995) Nucl Acids Res 23:1956–1963
19. Saboury AA, Atri MS, Sanati MH, Moosavi-Movahedi AA, Haghbeen K (2005) Int J Biol Macromol 36:305–309
20. Serban DN, Serban IL, Petrescu G (2004) Rev Med Chir Soc Med Nat Iasi 108:441–451
21. Martin RB (1985) Acc Chem Res 18:32–38
22. Torres J, Veiga N, Gancheff JS, Dominguez S, Mederos A, Sundberg M, Sanchez A, Castiglioni J, Diaz A, Kremer C (2008) J Mol Struct: THEOCHEM 874:77–88
23. Burda JV, Sponer J, Leszczynski J, Hobza P (1997) J Phys Chem B 101:9670–9677
24. Zheng YJ, Ornstein RL, Leary JA (1997) J Mol Struct: THEOCHEM 389:233–240
25. Sponer J, Sponer JE, Gorb L, Leszczynski J, Lippert B (1999) J Phys Chem A 103:11406–11413
26. Wong CHS, Siu FM, Ma NL, Tsang CW (2001) J Mol Struct: THEOCHEM 536:227–234
27. Russo N, Toscano M, Grand A (2003) J Phys Chem A 107:11533–11538
28. Reddy AS, Sastry GN (2005) J Phys Chem A 109:8893
29. Nicolas I, Castro M (2006) J Phys Chem A 110:4564
30. Allen RN, Shukla MK, Burda JV, Leszczynski J (2006) J Phys Chem A 110:6139
31. Allen RN, Shukla MK, Leszczynski J (2006) Int J Quant Chem 106:2366–2372
32. Remko M, Fitz D, Rode BM (2008) J Phys Chem A 112:7652–7661
33. Peschke M, Blades AT, Kebarle P (2000) J Am Chem Soc 122:10440–10449
34. Trachtman M, Markham GD, Glusker JP, George P, Bock CW (2001) Inorg Chem 40:4230–4241
35. Bako I, Hutter J, Palinkas G (2002) J Chem Phys 117:9838–9843
36. Piquemal JP, Perera L, Cisneros GA, Ren PY, Pedersen LG, Darden TA (2006) J Chem Phys 125:054511
37. Jiao D, King C, Grossfield A, Darden TA, Ren PY (2006) J Phys Chem B 110:18553–18559
38. Tofteberg T, Ohrn A, Karlstrom G (2006) Chem Phys Lett 429:436–439
39. Carl DR, Moision RM, Armentrout PB (2007) Int J Mass Spectrom 265:308–325
40. Rao JS, Dinadayalane TC, Leszczynski J, Sastry GN (2008) J Phys Chem A 112:12944
41. Ai HQ, Bu YX, Li P, Zhang C (2005) New J Chem 29:1540–1548
42. Li HF, Bu YX, Yan SH, Li P, Cukier RI (2006) J Phys Chem B 110:11005–11013
43. Sundaresan N, Pillai CKS, Suresh CH (2006) J Phys Chem A 110:8826–8831
44. Reddy AS, Zipse H, Sastry GN (2007) J Phys Chem B 111:11546–11553
45. Gavryushov S (2007) J Phys Chem B 111:5264–5276
46. Liu HC, Zhang L, Li P, Cukier RI, Bu YX (2007) Chemphyschem 8:304–314
47. Potoff JJ, Issa Z, Manke CW, Jena BP (2008) Cell Biol Int 32:361–366
48. Corral I, Mó O, Yáñez M, Salpin JY, Tortajada J, Radom L (2004) J Phys Chem A 108: 10080–10088
49. Corral I, Mó O, Yáñez M, Salpin JY, Tortajada J, Moran D, Radom L (2006) Chem Eur J 12:6787–6796
50. Trujillo C, Mó O, Yáñez M, Salpin J-Y, Tortajada J (2007) Chemphyschem 8:1330–1337
51. Lamsabhi AM, Mó O, Yáñez M, Boyd RJ (2008) J Chem Theory Comput 4:1002–1011
52. Trujillo C, Lamsabhi AM, Mó O, Yáñez M (2008) Phys Chem Chem Phys 10:3229–3235
53. Trujillo C, Lamsabhi AM, Mó O, Yáñez M, Salpin JY (2008) Org Biomol Chem 6:3695–3702
54. Lamsabhi AM, Alcamí M, Mó O, Yáñez M, Tortajada J (2006) J Phys Chem A 110:1943–1950
55. Lamsabhi AM, Alcamí M, Mó O, Yáñez M, Tortajada J, Salpin J-Y (2007) Chemphyschem 8:181–187
56. Guillaumont S, Tortajada J, Salpin JY, Lamsabhi AM (2005) Int J Mass Spectrom 243:279–293
57. Corral I, Mó O, Yáñez M, Radom L (2005) J Phys Chem A 109:6735–6742
58. Burda JV, Sponer J, Hobza P (1996) J Phys Chem 100:7250–7255
59. Corral I, Mó O, Yáñez M, Scott AP, Radom L (2003) J Phys Chem A 107:10456–10461
60. Bader RFW (1990) Atoms in molecules. A quantum theory. Clarendon Press, Oxford
61. Becke AD, Edgecombe KE (1990) J Chem Phys 92:5397–5403
62. Savin A, Nesper R, Wengert S, Fassler TF (1997) Angew Chem Int Ed 36:1809–1832
63. Silvi B, Savin A (1994) Nature 371:683–686
64. Reed AE, Curtiss LA, Weinhold F (1988) Chem Rev 88:899–926
65. Alcamí M, Mó O, Yáñez M, Cooper IL (1999) J Phys Chem A 103:2793–2800
66. Abboud JLM, Notario R, Yáñez M, Mó O, Flammang R, Jagerovic N, Alkorta I, Elguero J (1999) J Phys Org Chem 12:787–795
67. Alcamí M, Mó O, Yáñez M (1989) J Phys Chem 93:3929–3936
68. Alcamí M, Mó O, Depaz JJG, Yáñez M (1990) Theor Chim Acta 77:1–15
69. Alcamí M, Mó O, Yáñez M, Anvia F, Taft RW (1990) J Phys Chem 94:4796–4804
70. Alcamí M, Mó O, Yáñez M (1996) Modelling intrinsic basicities: the use of the electrostatic potentials and the atoms–in–molecules theory, vol 3. Elsevier, Amsterdam
71. Karamat S, Fabian WMF (2008) J Phys Chem A 112:1823–1831
72. Dybal J, Makrlik E, Vanura P (2009) J Radioanal Nucl Chem 279:553–559
73. Estrin DA, Paglieri L, Corongiu G (1994) J Phys Chem 98:5653–5660
74. Gould IR, Burton NA, Hall RJ, Hillier IH (1995) J Mol Struct: THEOCHEM 331:147–154
75. Lamsabhi M, Alcamí M, Mó O, Bouab W, Esseffar M, Abboud JLM, Yáñez M (2000) J Phys Chem A 104:5122–5130
76. Trujillo C, Mó O, Yáñez M (2007) Org Biomol Chem 5:3092–3099
77. Lamsabhi AM, Mó O, Yáñez M, Guillemin JC, Haldys V, Tortajada J, Salpin JY (2008) J Mass Spectrom 43:317–326
78. Trujillo C, Mó O, Yáñez M, Tortajada J, Salpin JY (2008) J Phys Chem B 112:5479–5486
79. Boys SF, Bernardi F (1970) Mol Phys 19:553–&.
80. Linstrom PJ, MAllard WG (2005) NIST chemistry webbook. Standrard Reference Database Number 69. National Institute of Standards and Technology, Gaithersburg, MD
81. Burk P, Koppel IA, Koppel I, Kurg R, Gal JF, Maria PC, Herreros M, Notario R, Abboud JLM, Anvia F, Taft RW (2000) J Phys Chem A 104:2824–2833
82. Remko M, Rode BM (2000) J Mol Struct: THEOCHEM 505:269–281
83. Schröder D, Schwarz H (1999) J Phys Chem A 103:7385–7394
84. Blades AT, Jayaweera P, Ikonomou MG, Kebarle P (1990) Int J Mass Spectrom Ion Proc 102:251–267
85. Blades AT, Jayaweera P, Ikonomou MG, Kebarle P (1990) Int J Mass Spectrom Ion Proc 101:325–336
86. Blades AT, Jayaweera P, Ikonomou MG, Kebarle P (1990) J Chem Phys 92:5900–5906
87. Jayaweera P, Blades AT, Ikonomou MG, Kebarle P (1990) J Am Chem Soc 112:2452–2454
88. Stace AJ (2002) J Phys Chem A 106:7993
89. Rodriguez-Cruz SE, Jockusch RA, Williams ER (1998) J Am Chem Soc 120:5842–5843
90. Peschke M, Blades AT, Kebarle P (1998) J Phys Chem A 102:9978–9985
91. Pavlov M, Siegbahn PEM, Sandstrom M (1998) J Phys Chem A 102:219
92. Rodriguez-Cruz SE, Jockusch RA, Williams ER (1999) J Am Chem Soc 121:1986–1987
93. Rodriguez-Cruz SE, Jockusch RA, Williams ER (1999) J Am Chem Soc 121:8898–8906
94. Feil S, Koyanagi GK, Bohme DK (2009) Int J Mass Spectrom 280:38–41
95. Spears KG, Fehsenfeld FC (1972) J Chem Phys 56:5698–5705
96. Spears KG, Fehsenfeld GC, McFarland M, Ferguson EE (1972) J Chem Phys 56:2562–2566
97. Beyer M, Williams ER, Bondybey VE (1999) J Am Chem Soc 121:1565–1573
98. Shvartsburg AA, Siu KWM (2001) J Am Chem Soc 123:10071–10075
99. Shvartsburg AA, Wilkes JG, Lay JO, Siu KWM (2001) Chem Phys Lett 350:216
100. Shvartsburg AA, Wilkes JG (2002) J Phys Chem A 106:4543
101. Kohler M, Leary JA (1997) J Am Soc Mass Spectrom 8:1124–1133
102. Shvartsburg AA (2003) Chem Phys Lett 376:6
103. Xiao CY, Walker K, Hagelberg F, El-Nahas AM (2004) Int J Mass Spectrom 233:87–98
104. Wu JH, Liu D, Zhou JG, Hagelberg F, Park SS, Shvartsburg AA (2007) J Phys Chem A 111:4748–4758
105. Feil S, Koyanagi GK, Viggiano AA, Bohme DK (2007) J Phys Chem A 111:13397–13402
106. Shi TJ, Siu KWM, Hopkinson AC (2006) Int J Mass Spectrom 255:251–264
107. Cimas A, Gamez JA, Mó O, Yáñez M, Salpin JY (2008) Chem Phys Lett 456:156–161
108. Luna A, Amekraz B, Morizur JP, Tortajada J, Mó O, Yáñez M (2000) J Phys Chem A 104:3132–3141
109. Schröder D, Weiske T, Schwarz H (2002) Int J Mass Spectrom 219:729–738
110. Rodriguez-Santiago L, Noguera M, Sodupe M, Salpin JY, Tortajada J (2003) J Phys Chem A 107:9865–9874
111. Kohno J, Mafune F, Kondow T (1999) J Phys Chem A 103:1518–1522
112. Rodríguez-Santiago L, Sodupe M, Tortajada J (2001) J Phys Chem A 105:5340–5347
113. Hoppilliard Y, Ohanessian G, Bourcier S (2004) J Phys Chem A 108:9687–9696
114. Hoyau S, Pélicier J P, Rogalewicz F, Hoppilliard Y, (2001) Ohanessian. Eur J Mass Spectrom 7:303–311
115. Hoyau S, Ohanessian G (1997) J Am Chem Soc 119:2016–2024
116. Strittmatter EF, Lemoff AS, Williams ER (2000) J Phys Chem A 104:9793–9796
117. Ai HQ, Bu YX, Li P (2003) Int J Quant Chem 94:205–214
118. Kapota C, Lemaire J, Maitre P, Ohanessian G (2004) J Am Chem Soc 126:1836–1842
119. Dunbar RC, Polfer NC, Oomens J (2007) J Am Chem Soc 129:14562
120. Bush MF, Oomens J, Saykally RJ, Williams ER (2008) J Am Chem Soc 130:6463–6471
121. Lippert B (2000) Coord Chem Rev 200:487–516
122. Burrows CJ, Muller JG (1998) Chem Rev 98:1109–1151
123. Franska M (2007) Eur J Mass Spectrom 13:339–346
124. Cerda BA, Wesdemiotis C (1996) J Am Chem Soc 118:11884–11892
125. Hall BJ, Brodbelt JS (1999) J Am Soc Mass Spectrom 10:402–413
126. Shen N, Pope RM, Dearden DV (2000) Int J Mass Spectrom 195–196:639
127. Hu PF, Gross ML (1992) J Am Chem Soc 114:9153–9160
128. Hu PF, Gross ML (1992) J Am Chem Soc 114:9161–9169
129. Nemirovskiy OV, Gross ML (1998) J Am Soc Mass Spectrom 9:1020–1028
130. Nemirovskiy O, Giblin DE, Gross ML (1999) J Am Soc Mass Spectrom 10:711–718
131. Williams SM, Brodbelt JS (2004) J Am Soc Mass Spectrom 15:1039–1054
132. Fura A, Leary JA (1993) Anal Chem 65:2805–2811
133. Harvey DJ (2001) J Am Soc Mass Spectrom 12:926–937
134. Zaia J, Costello CE (2003) Anal Chem 75:2445–2455