Investigation on structural, spectral, optical, thermal studies and third order NLO properties of guanidinium pentaborate monohydrate single crystal

Dhatchaiyini, M. K.; Rajasekar, G.; NizamMohideen, M.; Bhaskaran, A.

doi:10.1016/j.molstruc.2020.128065

Cited by 23 publications

(6 citation statements)

References 15 publications

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“…The three structurally characterized guanidinium polyborate salts [C(NH 2 ) 3 ] 2 [B 4 O 5 (OH) 4 ]·2H 2 O [ 17 ], [C(NH 2 ) 3 ][B 5 O 6 (OH) 4 ]·H 2 O [ 18 ], and [C(NH 2 ) 3 ] 3 [B 9 O 12 (OH) 6 ] [ 19 ] were all prepared by crystallization from aqueous solutions containing [C(NH 2 ) 3 ] 2 CO 3 and B(OH) 3 at various temperatures and ratios [ 8 ]. Two alternative syntheses of [C(NH 2 ) 3 ] 3 [B 9 O 12 (OH) 6 ] have been reported using either (i) [C(NH 2 ) 3 ]Cl, Na 2 B 4 O 7 ·5H 2 O and B(OH) 3 or (ii) [C(NH 2 ) 3 ] 2 [B 4 O 5 (OH) 4 ]·2H 2 O and B(OH) 3 in appropriate ratios [ 19 ].…”

Section: Resultsmentioning

confidence: 99%

“…13.6 [ 16 ]) and organic bases of this strength readily form, when protonated, polyborate salts. Usually, solid-state interactions in polyborate chemistry favour specific cation–anion combinations [ 10 ] and therefore it is surprising to find that three guanidinium polyborate salts of differing stoichiometries have been structurally characterized by single-crystal X-ray diffraction studies: [C(NH 2 ) 3 ] 2 [B 4 O 5 (OH) 4 ]·2H 2 O [ 17 ], [C(NH 2 ) 3 ][B 5 O 6 (OH) 4 ]·H 2 O [ 18 ], and [C(NH 2 ) 3 ] 3 [B 9 O 12 (OH) 6 ] [ 8 , 19 ]. The tetraborate(2-) salt, [C(NH 2 ) 3 ] 2 [B 4 O 5 (OH) 4 ]·2H 2 O, was first reported in 1921 [ 20 ] and crystallographically characterized in 1985 [ 17 ].…”

Section: Introductionmentioning

confidence: 99%

“…The tetraborate(2-) salt, [C(NH 2 ) 3 ] 2 [B 4 O 5 (OH) 4 ]·2H 2 O, was first reported in 1921 [ 20 ] and crystallographically characterized in 1985 [ 17 ]. Likewise, pentaborate(1-) salts of various degrees of hydration, [C(NH 2 ) 3 ][B 5 O 6 (OH) 4 ]·xH 2 O have been described in early literature [ 21 ] but [C(NH 2 ) 3 ][B 5 O 6 (OH) 4 ]·H 2 O was crystallographically characterized in 2020 together with its spectral, optical, thermal, and third-order NLO properties [ 18 ]. The large-scale high temperature synthesis of a salt containing the structurally rare nonaborate(3-) anion, [C(NH 2 ) 3 ] 3 [B 9 O 12 (OH) 6 ], was reported in 2000 [ 19 ].…”

Section: Introductionmentioning

confidence: 99%

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Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of N-Substituted Guanidinium Cations

2023

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The synthesis and characterization of six new substituted guanidium tetrahydroxidohexaoxidopentaborate(1-) salts are reported: [C(NH2)2(NHMe)][B5O6(OH)4]·H2O (1), [C(NH2)2(NH{NH2})][B5O6(OH)4] (2), [C(NH2)2(NMe2)][B5O6(OH)4] (3), [C(NH2)(NMe2)2][B5O6(OH)4] (4), [C(NHMe)(NMe2)2][B5O6(OH)4]·B(OH)3 (5), and [TBDH][B5O6(OH)4] (6) (TBD = 1,5,7-triazabicyclo [4.4.0]dec-5-ene). Compounds 1–6 were prepared as crystalline salts from basic aqueous solution via self-assembly processes from B(OH)3 and the appropriate substituted cation. Compounds 1–6 were characterized by spectroscopic (NMR and IR) and by single-crystal XRD studies. A thermal (TGA) analysis on compounds 1–3 and 6 demonstrated that they thermally decomposed via a multistage process to B2O3 at >650 °C. The low temperature stage (<250 °C) was endothermic and corresponded to a loss of H2O. Reactant stoichiometry, solid-state packing, and H-bonding interactions are all important in assembling these structures. An analysis of H-bonding motifs in known unsubstituted guanidinium salts [C(NH2)3]2[B4O5(OH)4]·2H2O, [C(NH2)3][B5O6(OH)4]·H2O, and [C(NH2)3]3[B9O12(OH)6] and in compounds 1–6 revealed that two important H-bonding R22(8) motifs competed to stabilize the observed structures. The guanidinium cation formed charge-assisted pincer cation–anion H-bonded rings as a major motif in [C(NH2)3]2[B4O5(OH)4]·2H2O and [C(NH2)3]3[B9O12(OH)6], whereas the anion–anion ring motif was dominant in [C(NH2)3][B5O6(OH)4]·H2O and in compounds 1–6. This behaviour was consistent with the stoichiometry of the salt and packing effects also strongly influencing their solid-state structures.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of N-Substituted Guanidinium Cations

2023

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“…Nowadays, the study of NLO materials has garnered much attention since its technological needs are obvious [2]. Some researchers have reported that the inorganic crystals gaining its popularity in the area of nonlinear optics owing to its good physical and chemical stabilities [3]. Many useful inorganic crystals have been discovered and used in laser sources.…”

mentioning

confidence: 99%

“…where N is the Avogadro's number [21] and the estimated value of electronic polarizability is 1.256 x 10 -23 cm 3 . The results show that the electronic polarizability of KHS crystal determined using both techniques is almost identical.…”

mentioning

confidence: 99%

Photoluminescence, Impedance, Thermal Characteristics and Hirshfeld Surface Analysis of Potassium Bisulphate Single Crystals for Third Order NLO Applications

Thilaga¹,

Selvarajan²,

Kader

2021

EEJP

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Good quality potassium bisulphate (KHS) single crystals have been grown by slow evaporation method at room temperature. The KHS crystal was found to be crystallizing in orthorhombic crystal structure with Pbca space group. The photoluminescence behaviour of the crystal was analysed in the visible region. This study disclosed that the grown KHS crystal has intense blue emission peak at 490 nm. Impedance analysis was performed to investigate the frequency dependent electrical characteristics at various temperatures. From the impedance studies the bulk resistance, grain boundary resistance and DC conductivity values of the grown crystal were found out. The KHS crystal was subjected to TGA/DTA and the results have been investigated. The electrical parameters like Fermi energy and average energy gap of KHS crystal have been determined. The evaluated values are used to estimate the electronic polarizability. The intermolecular interactions were predicted using Hirshfeld surface analysis. This analysis exhibited that the utmost contribution to the crystal structure was the K⋯O (46.7%) interaction. The 2D fingerprint plot provides the percentage contribution of each atom-to-atom interaction. Since KHS material is a centrosymmetric crystal, it could be used for third order nonlinear optical (NLO) applications.

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“Cation Activation”: An Effective Strategy for the Enhancement of Birefringence

Zhang

et al. 2023

Advanced Optical Materials

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For traditional birefringent materials, the anion groups play the leading role in birefringence, while the alkali‐metal and alkaline‐earth‐metal cations are nearly inactive. This work proposes a strategy to activate the functions of the cation groups and uses the hydroxyborate systems for illustration. The experimental verification is carried out in the same anionic frame by replacing the traditional metal cations with the birefringence‐active units including planar groups of protonation [C(NH2)3], [C3N2H5], and [CN4H7]. The structures of four new hydroxyborates, α‐Rb2[B4O5(OH)4]·H2O, β‐Rb2[B4O5(OH)4]·H2O, [C(NH2)3]2[B4O5(OH)4]·H2O, and (CN4H7)B5O6(OH)4 are obtained for the first time, and [C(NH2)3]2[B4O5(OH)4]·H2O exhibits a markedly enlarged birefringence, which is about 2.75 times that of α‐Rb2[B4O5(OH)4]·H2O theoretically because the activated cations appear. This strategy breaks the dominant status of anions in the design of UV/deep ultraviolet materials with large birefringence and has significant implications for the rational design and discovery of materials with large birefringence in the future.

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Investigation on structural, spectral, optical, thermal studies and third order NLO properties of guanidinium pentaborate monohydrate single crystal

Cited by 23 publications

References 15 publications

Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of N-Substituted Guanidinium Cations

Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of N-Substituted Guanidinium Cations

Photoluminescence, Impedance, Thermal Characteristics and Hirshfeld Surface Analysis of Potassium Bisulphate Single Crystals for Third Order NLO Applications

“Cation Activation”: An Effective Strategy for the Enhancement of Birefringence

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