|Generate QR code
Open Access
Subscription Access
Relationship of the Frequency of Symmetric Stretching Vibration of the Bond of Metal Ions of II-IV Periods with Water Molecules and Thermodynamic Functions of Aquaion Formation
Abstract
Using the density functional theory method in the approximation of M062x/6-311+G(d,p), the calculation was performed of the optimal geometry and Raman spectra of metal aquacomplexes of periods II-IV [M(H2O)6]n+ (Mn+ = Na+ , Be2+ , Mg2+ , Al3+ , Ca2+ , Sc2+ , Ti3+ , V2+ , V3+ , Cr3+ , Mn2+ , Fe2+ , Fe3+ , Co2+ , Co3+ , Ni2+ , Cu2+ , Zn2+ , Ga3+ и Li+ (m = 4)). Correlation dependences of the frequency of the symmetric stretching vibration of the bond of a metal ion with water molecules and the thermodynamic functions of the formation of aquaions are proposed.
References
1. I. Persson. Pure Appl. Chem., 82, N 10 (2010) 1901-1917, https://doi.org/10.1351/PAC-CON-09-10-22
2. W. Rudolph, H. B. Murray, C. C. Pye. J. Phys. Chem., 99, N 11 (1995) 3793-3797, http://dx.doi.org/10.1021/j100011a055
3. C. C. Pye, W. W. Rudolph. J. Phys. Chem. A, 102, N 48 (1998) 9933-9943, https://doi.org/10.1021/jp982709m
4. W. W. Rudolph, R. Mason, C. C. Pye. Phys. Chem. Chem. Phys., 2(22) (2000) 5030-5040, https://doi.org/10.1039/B003764H
5. W. W. Rudolph, G. Irmer. Dalton Trans., 42 (2013) 3919-3935, htts://doi.org/10.1039/c2dt31718d
6. R. ÅKesson, L. G. M. Petersson, M. Sandström, U. Wahlgren. J. Am. Chem. Soc., 116 (1994) 8691-8704, https://doi.org/10.1021/ja00098a032
7. S. P. Best, J. K. Beattie, R. S. Armstrong. J. Chem. Soc., Dalton Trans., 12 (1984) 2611-2624, https://doi.org/10.1039/DT9840002611
8. V. Vchirawongkwin, C. Kritayakornupong, A. Tongraar, B. M. Rode. Dalton Trans., 41 (2012) 11889-11897, https://doi.org/10.1039/C2DT31117H
9. H. G. M. Edwards, A. Knowles. J. Mol. Struct., 268 (1992) 13-22, https://doi.org/10.1016/0022- 2860(92)85056-M
10. R. Akesson, L. G. M. Pettersson, M. Sandstroem, P. E. M. Siegbahn, U. Wangren. J. Phys. Chem., 97, N 15 (1993) 3765-3774, https://doi.org/10.1021/j100117a023
11. C. C. Pye, C. R. Corbeil, W. W. Rudolph. Phys. Chem. Chem. Phys., 8 (2006) 5428-5436, https://doi.org/10.1039/B610084H
12. W. W. Rudolph, C. C. Pye, G. Irmer. J. Raman. Spectrosc., 33, N 3 (2002) 177-190, https://doi.org/10.1002/jrs.842
13. W. Rudolph, G. Irmer. Molecules, 24, N 10 (2019) 1953, https://doi: 10.3390/molecules24101953
14. W. Rudolph, G. Irmer. Molecules, 23, N 12 (2018) 3237, https://doi: 10.3390/molecules23123237
15. Francesco Stellato, Matteo Calandra, Francesco D’Acapito, Emiliano De Santis, Giovanni La Penna, Giancarlo Rossi, Silvia Morante. Phys. Chem. Chem. Phys., 20 (2018) 24775-24782, https://doi.org/10.1039/C8CP04355H
16. D. Z. Caralampio, J. M. Martínez, R. R. Pappalardo, E. S. Marcos. Theor. Chem. Acc., 136 (2017) 47, https://doi.org/10.1007/s00214-017-2075-1
17. Shaonan Dong, Jing Zhang, Xiaohan Yuan, Shuping Bi. ACS Earth Space Chem., 3, N 10 (2019) 2315-2322, https://doi.org/10.1021/acsearthspacechem.9b00174
18. Gaussian 09, Revision D.01, Gaussian, Inc., Wallingford CT (2013)
19. B. Kallies, R. Meier. Inorg. Chem., 40, N 13 (2001) 3101-3112, https://doi.org/10.1021/ic001258t
20. Z. A. Zhurko. Chemcraft. Version 1.6 [site]. URL, www.chemcraftprog.com
Review
For citations:
Mikhailov G.P. Relationship of the Frequency of Symmetric Stretching Vibration of the Bond of Metal Ions of II-IV Periods with Water Molecules and Thermodynamic Functions of Aquaion Formation. Zhurnal Prikladnoii Spektroskopii. 2021;88(5):689-693. (In Russ.)
Views: 242
Email this article 