27. Tossell JA (2005) Theoretical study on the dimerization of Si(OH) 4 in aqueous solution and
its dependance on temperature and dielectric constant. Geochim Cosmochim Acta 69:283–
291
28. Kubicki DJ, Sykes D (1993) Molecular orbital calculations on H 6 Si 2 O 7 with variable angle:
Implications for high-presure vibrational spectra of silicate glasses. Am Min 78:253–255
29. Jastrzębski W (2006) Spektroskopia oscylacyjna pierścieni krzemotlenowych w strukturach
krzemianów i siloksanów. AGH University of Sciecne and Technology, Kraków (in Polish)
30. Handke M (1984) Spektroskopia wibracyjna krzemianów a charakter wiązania Si–O w
krzemianach (in polish). Zeszyty Naukowe AGH, Ceramika 48, Kraków
31. Mikuła A, Król M, Mozgawa W, Koleżyński A (2018) New approach for determination of the
influence of long-range order and selected ring oscillations on IR spectra in zeolites.
Spectrochim Acta A 195:62–67
32. Handke M, Sitarz M, Mozgawa W (1998) Model of silicooxygen ring vibrations. J Mol Struct
450:229–238
33. Marcolli C, Calzaferri G (1997) Vibrational structure of monosubstituted octahydrosilasesquioxanes. J Phys Chem B 101:4925–4933
34. Bornhauser P, Calzaferri G (1996) Ring-opening vibrations of spherosiloxanes. J Phys Chem
100:2035–2044
35. Pechar F, Rykl D (1983) Study of the vibrational spectra of natural natrolit. Can Mineral
21:689–695
36. Król M, Mozgawa W, Jastrzbski W, Barczyk K (2012) Application of IR spectra in the
studies of zeolites from D4R and D6R structural groups. Microporous Mesoporous Mater
156:181–188
37. Mozgawa W, Jastrzębski W, Handke M (2005) Vibrational spectra of D4R and D6R
structural units. J Mol Struct 744–747:663–670
38. Mozgawa W, Jastrzębski W, Handke M (2006) Cation-terminated structural clusters as a
model for the interpretation of zeolite vibrational spectra. J Mol Struct 792–793:163–169
39. Pápai I, Goursot A, Fajula F (1994) Density functional calculations on model clusters of
zeolite-b. J Phys Chem 98:4654–4659
40. Pidko E, Hensen EJM, Zhidomirov GM, van Santen R (2008) Nonlocalized charge
compensation in zeolites: a periodic DFT study of cationic gallium-oxide clusters in
mordenite. J Catal 255:139–143
41. Hill JR, Sauer J (1995) Molecular mechanics potential for silica and zeolite catalysts based on
ab initio calculations. 2. Aluminosilicates. J Phys Chem 99:9536–9550
42. Ermoshin VA, Smirnov KS, Bougeard D (1996) Ab initio generalized valence force field for
zeolite modelling 2. Aluminosilicates. Chem Phys 209:41–51
43. Mozgawa W, Handke M, Jastrzębski W (2004) Vibrational spectra of aluminosilicate
structural clusters. J Mol Struct 704:247–257
44. Ermoshin VA, Smirnov KS, Bougeard D (1997) Ab initio force field for aluminosilicates;
molecular dynamics simulation of the infrared spectra of zeolites. J Mol Struct 410–411:371–
374
45. Hill JR, Sauer J (1997) Molecular mechanics potential for silica and zeolite catalysts based on
ab initio calculations. 1. Dense and microporous silica. J Phys Chem 98:1238–1244
46. Mozgawa W (2007) Spektroskopia oscylacyjna zeolitów. Uczelniane Wydawnictwa
Naukowo-Dydaktyczne AGH, Kraków (in Polish)
47. Mozgawa W, Król M, Barczyk K (2011) FT-IR studies of zeolites from different structural
groups. Chemik 65(7):667–674
48. Mozgawa W, Bajda T (2006) Application of vibrational spectra in the studies of cation
sorption on zeolites. J Mol Struct 792–793:170–175
49. Huang Y, Jiang Z (1997) Vibrational spectra of completely siliceous zeolite A. Microporous
Mater 12:341–345
50. Loewenstein W (1954) The distribution of aluminum in the tetrahedra of silicates and
aluminates. Am Miner 39:92–96
330
M. Król et al.
its dependance on temperature and dielectric constant. Geochim Cosmochim Acta 69:283–
291
28. Kubicki DJ, Sykes D (1993) Molecular orbital calculations on H 6 Si 2 O 7 with variable angle:
Implications for high-presure vibrational spectra of silicate glasses. Am Min 78:253–255
29. Jastrzębski W (2006) Spektroskopia oscylacyjna pierścieni krzemotlenowych w strukturach
krzemianów i siloksanów. AGH University of Sciecne and Technology, Kraków (in Polish)
30. Handke M (1984) Spektroskopia wibracyjna krzemianów a charakter wiązania Si–O w
krzemianach (in polish). Zeszyty Naukowe AGH, Ceramika 48, Kraków
31. Mikuła A, Król M, Mozgawa W, Koleżyński A (2018) New approach for determination of the
influence of long-range order and selected ring oscillations on IR spectra in zeolites.
Spectrochim Acta A 195:62–67
32. Handke M, Sitarz M, Mozgawa W (1998) Model of silicooxygen ring vibrations. J Mol Struct
450:229–238
33. Marcolli C, Calzaferri G (1997) Vibrational structure of monosubstituted octahydrosilasesquioxanes. J Phys Chem B 101:4925–4933
34. Bornhauser P, Calzaferri G (1996) Ring-opening vibrations of spherosiloxanes. J Phys Chem
100:2035–2044
35. Pechar F, Rykl D (1983) Study of the vibrational spectra of natural natrolit. Can Mineral
21:689–695
36. Król M, Mozgawa W, Jastrzbski W, Barczyk K (2012) Application of IR spectra in the
studies of zeolites from D4R and D6R structural groups. Microporous Mesoporous Mater
156:181–188
37. Mozgawa W, Jastrzębski W, Handke M (2005) Vibrational spectra of D4R and D6R
structural units. J Mol Struct 744–747:663–670
38. Mozgawa W, Jastrzębski W, Handke M (2006) Cation-terminated structural clusters as a
model for the interpretation of zeolite vibrational spectra. J Mol Struct 792–793:163–169
39. Pápai I, Goursot A, Fajula F (1994) Density functional calculations on model clusters of
zeolite-b. J Phys Chem 98:4654–4659
40. Pidko E, Hensen EJM, Zhidomirov GM, van Santen R (2008) Nonlocalized charge
compensation in zeolites: a periodic DFT study of cationic gallium-oxide clusters in
mordenite. J Catal 255:139–143
41. Hill JR, Sauer J (1995) Molecular mechanics potential for silica and zeolite catalysts based on
ab initio calculations. 2. Aluminosilicates. J Phys Chem 99:9536–9550
42. Ermoshin VA, Smirnov KS, Bougeard D (1996) Ab initio generalized valence force field for
zeolite modelling 2. Aluminosilicates. Chem Phys 209:41–51
43. Mozgawa W, Handke M, Jastrzębski W (2004) Vibrational spectra of aluminosilicate
structural clusters. J Mol Struct 704:247–257
44. Ermoshin VA, Smirnov KS, Bougeard D (1997) Ab initio force field for aluminosilicates;
molecular dynamics simulation of the infrared spectra of zeolites. J Mol Struct 410–411:371–
374
45. Hill JR, Sauer J (1997) Molecular mechanics potential for silica and zeolite catalysts based on
ab initio calculations. 1. Dense and microporous silica. J Phys Chem 98:1238–1244
46. Mozgawa W (2007) Spektroskopia oscylacyjna zeolitów. Uczelniane Wydawnictwa
Naukowo-Dydaktyczne AGH, Kraków (in Polish)
47. Mozgawa W, Król M, Barczyk K (2011) FT-IR studies of zeolites from different structural
groups. Chemik 65(7):667–674
48. Mozgawa W, Bajda T (2006) Application of vibrational spectra in the studies of cation
sorption on zeolites. J Mol Struct 792–793:170–175
49. Huang Y, Jiang Z (1997) Vibrational spectra of completely siliceous zeolite A. Microporous
Mater 12:341–345
50. Loewenstein W (1954) The distribution of aluminum in the tetrahedra of silicates and
aluminates. Am Miner 39:92–96
330
M. Król et al.