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Z Phys Chem 40:135–145
60. Miller FA, Wilkins CH (1952) Infrared spectra and characteristic frequencies of inorganic
ions. Anal Chem 24:1253–1294
61. Bethell DE, Sheppard N (1955) The infra-red spectrum and structure of boric acid. Trans
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acid. J Chem Phys 26:1175–1178
63. Maya L (1976) Identification of polyborate and fluoropolyborate ions in solution by Raman
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spectrometry and matrix isolation infrared spectroscopy. J Chem Soc Dalton Trans 1645–
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J Chem Soc Dalton Trans 2463–2466
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argon. J Chem Phys 97:7203–7210
69. Gupta A, Swanson DK, Tossell JA, Gibbs GV (1981) Calculation of bond distances,
one-electron properties and electron density distributions in first-row tetrahedral hydroxy and
oxyanions. Am Miner 66:601–609
70. Hess AC, McMillan PF, O’Keeffe M (1988) Torsional barriers and force fields in H 4 TO 4
molecules and molecular ions (T = C, B, Al, Si). J Phys Chem 92:1785–1791
71. Nielsen JR, Ward NE (1937) Raman spectrum and structure of the metaborate ion. J Chem
Phys 5:201
72. Edwards JO, Morrison GC, Ross VF, Schultz JW (1955) The structure of the aqueous borate
ion. J Am Chem Soc 77:266–268
73. Oertel RP (1972) Raman study of aqueous monoborate-polyol complexes. Equilibria in the
monoborate-1,2-ethanediol system. Inorg Chem 11:544–549
74. Liu Z, Gao B, Hu M, Li S, Xia S (2003) FT-IR and Raman spectroscopic analysis of hydrated
cesium borates and their saturated aqueous solution. Spectrochim Acta A 59:2741–2745
75. Zhu FY, Fang CH, Fang Y, Zhou YQ, Ge HW, Liu HY (2014) Structure of aqueous
potassium metaborate solution. J Mol Struct 1070:80–85
76. Attina M, Cacace F, Occhiucci G, Ricci A (1992) Gaseous borate and polyborate anions.
Inorg Chem 31:3114–3117
77. Waton G, Mallo P, Candau SJ (1984) Temperature-jump rate study of the chemical relaxation
of aqueous boric acid solutions. J Phys Chem 88:3301–3305
An Ab Initio Study of Boric Acid, Borate …
177
12:9–14
59. Kahovec L (1938) Studien zum Raman-Effekt. Mitteilung LXXXV. Borsauere und Derivate.
Z Phys Chem 40:135–145
60. Miller FA, Wilkins CH (1952) Infrared spectra and characteristic frequencies of inorganic
ions. Anal Chem 24:1253–1294
61. Bethell DE, Sheppard N (1955) The infra-red spectrum and structure of boric acid. Trans
Faraday Soc 51:9–15
62. Servoss RR, Clark HM (1957) Vibrational spectra of normal and isotopically labeled boric
acid. J Chem Phys 26:1175–1178
63. Maya L (1976) Identification of polyborate and fluoropolyborate ions in solution by Raman
spectroscopy. Inorg Chem 15:2179–2184
64. Maeda M, Hirao T, Kotaka M, Kakihana H (1979) Raman spectra of polyborate ions in
aqueous solution. J Inorg Nucl Chem 41:1217–1220
65. Janda R, Heller G (1979) Ramanspektroskopische Untersuchungen an festen und in Wasser
geloesten Polyboraten. Z Naturforsch B 34:585–590
66. Ogden JS, Young NA (1988) The characterisation of molecular boric acid by mass
spectrometry and matrix isolation infrared spectroscopy. J Chem Soc Dalton Trans 1645–
1652
67. Gilson TR (1991) Characterization of ortho- and meta-boric acids in the vapour phase.
J Chem Soc Dalton Trans 2463–2466
68. Andrews L, Burkholder TR (1992) Infrared spectra of molecular B(OH) 3 and HOBO in solid
argon. J Chem Phys 97:7203–7210
69. Gupta A, Swanson DK, Tossell JA, Gibbs GV (1981) Calculation of bond distances,
one-electron properties and electron density distributions in first-row tetrahedral hydroxy and
oxyanions. Am Miner 66:601–609
70. Hess AC, McMillan PF, O’Keeffe M (1988) Torsional barriers and force fields in H 4 TO 4
molecules and molecular ions (T = C, B, Al, Si). J Phys Chem 92:1785–1791
71. Nielsen JR, Ward NE (1937) Raman spectrum and structure of the metaborate ion. J Chem
Phys 5:201
72. Edwards JO, Morrison GC, Ross VF, Schultz JW (1955) The structure of the aqueous borate
ion. J Am Chem Soc 77:266–268
73. Oertel RP (1972) Raman study of aqueous monoborate-polyol complexes. Equilibria in the
monoborate-1,2-ethanediol system. Inorg Chem 11:544–549
74. Liu Z, Gao B, Hu M, Li S, Xia S (2003) FT-IR and Raman spectroscopic analysis of hydrated
cesium borates and their saturated aqueous solution. Spectrochim Acta A 59:2741–2745
75. Zhu FY, Fang CH, Fang Y, Zhou YQ, Ge HW, Liu HY (2014) Structure of aqueous
potassium metaborate solution. J Mol Struct 1070:80–85
76. Attina M, Cacace F, Occhiucci G, Ricci A (1992) Gaseous borate and polyborate anions.
Inorg Chem 31:3114–3117
77. Waton G, Mallo P, Candau SJ (1984) Temperature-jump rate study of the chemical relaxation
of aqueous boric acid solutions. J Phys Chem 88:3301–3305
An Ab Initio Study of Boric Acid, Borate …
177