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Synthesis, XRD studies and NLO properties of [p-H2NC6H4CH2NH3][B5O6(OH)4]·1/2H2O and NLO properties of some related pentaborate(1−) salts

Synthesis, XRD studies and NLO properties of [p-H2NC6H4CH2NH3][B5O6(OH)4]·1/2H2O and NLO properties of some related pentaborate(1−) salts
Synthesis, XRD studies and NLO properties of [p-H2NC6H4CH2NH3][B5O6(OH)4]·1/2H2O and NLO properties of some related pentaborate(1−) salts
The non-metal cation pentaborate(1−) salt [p-H2NC6H4CH2NH3][B5O6(OH)4]·1/2H2O (1) was synthesised from B(OH)3 and p-H2NC6H4CH2NH2 and crystallized from aqueous solution. Compound 1 was characterized by thermal (TGA/DSC), spectroscopic (IR, NMR) and single-crystal X-ray diffraction methods and it was found to crystallize in the non-centrosymmetric point group P21. Powder SHG measurements on 1 and some related alkylammonium pentaborate salts, [NH3CMe2(CH2OH)][B5O6(OH)4], [NH3CMe(CH2OH)2][B5O6(OH)4] and [NH3CHMeCH2OH][B5O6(OH)4], a substituted imidazolium salt, [1,2,3-Me3C3H2N2][B5O6(OH)4], a substituted piperidinium salt, [(CH2)5NH(CH2CH2OH)][B5O6(OH)4], and a substituted pyrrolidinium salt, [S-(+)-2-(HOCH2)C4H7NH2][B5O6(OH)4], were determined. Compound 1 and all compounds, except [1,2,3-Me3C3H2N2][B5O6(OH)4], showed some weak SHG activity with SHG efficiencies of 0.1–0.2 relative to that of KH2PO4 (KDP).
1040-7278
2087-2095
Beckett, Michael A.
5b021ef6-fa5c-4f6d-9998-3313558f0dc1
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Horton, Peter N.
154c8930-bfc3-495b-ad4a-8a278d5da3a5
Jones, Charlotte L.
d21b38a5-f7df-4ffd-8a7e-de716b1aeaeb
Krueger, Kerstin
86dbf360-aa04-43e4-8cc3-eea0c6d531ed
Beckett, Michael A.
5b021ef6-fa5c-4f6d-9998-3313558f0dc1
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Horton, Peter N.
154c8930-bfc3-495b-ad4a-8a278d5da3a5
Jones, Charlotte L.
d21b38a5-f7df-4ffd-8a7e-de716b1aeaeb
Krueger, Kerstin
86dbf360-aa04-43e4-8cc3-eea0c6d531ed

Beckett, Michael A., Coles, Simon J., Horton, Peter N., Jones, Charlotte L. and Krueger, Kerstin (2017) Synthesis, XRD studies and NLO properties of [p-H2NC6H4CH2NH3][B5O6(OH)4]·1/2H2O and NLO properties of some related pentaborate(1−) salts. Journal of Cluster Science, 28 (4), 2087-2095. (doi:10.1007/s10876-017-1205-1).

Record type: Article

Abstract

The non-metal cation pentaborate(1−) salt [p-H2NC6H4CH2NH3][B5O6(OH)4]·1/2H2O (1) was synthesised from B(OH)3 and p-H2NC6H4CH2NH2 and crystallized from aqueous solution. Compound 1 was characterized by thermal (TGA/DSC), spectroscopic (IR, NMR) and single-crystal X-ray diffraction methods and it was found to crystallize in the non-centrosymmetric point group P21. Powder SHG measurements on 1 and some related alkylammonium pentaborate salts, [NH3CMe2(CH2OH)][B5O6(OH)4], [NH3CMe(CH2OH)2][B5O6(OH)4] and [NH3CHMeCH2OH][B5O6(OH)4], a substituted imidazolium salt, [1,2,3-Me3C3H2N2][B5O6(OH)4], a substituted piperidinium salt, [(CH2)5NH(CH2CH2OH)][B5O6(OH)4], and a substituted pyrrolidinium salt, [S-(+)-2-(HOCH2)C4H7NH2][B5O6(OH)4], were determined. Compound 1 and all compounds, except [1,2,3-Me3C3H2N2][B5O6(OH)4], showed some weak SHG activity with SHG efficiencies of 0.1–0.2 relative to that of KH2PO4 (KDP).

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Accepted/In Press date: 1 April 2017
e-pub ahead of print date: 1 April 2017
Published date: July 2017
Organisations: Chemistry Research Support

Identifiers

Local EPrints ID: 411942
URI: https://eprints.soton.ac.uk/id/eprint/411942
ISSN: 1040-7278
PURE UUID: 36a7e183-a7fe-4e6a-9bd5-0467c52ddc83
ORCID for Simon J. Coles: ORCID iD orcid.org/0000-0001-8414-9272
ORCID for Peter N. Horton: ORCID iD orcid.org/0000-0001-8886-2016

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Date deposited: 01 Jul 2017 16:31
Last modified: 14 Mar 2019 05:49

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