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 -H 2 NC 6 H 4 CH 2 NH 3 ][B 5 O 6 (OH) 4 ]·1/2H 2 O ( 1 ) was synthesised from B(OH) 3 and p -H 2 NC 6 H 4 CH 2 NH 2 and crystallized from aqueous solution. Compound 1 was characterized by thermal (TGA/DSC), spectroscopic (IR, NMR) and single-crystal X-r...

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Veröffentlicht in:Journal of cluster science 2017-07, Vol.28 (4), p.2087-2095
Hauptverfasser: Beckett, Michael A., Coles, Simon J., Horton, Peter N., Jones, Charlotte L., Krueger, Kerstin
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Coles, Simon J.
Horton, Peter N.
Jones, Charlotte L.
Krueger, Kerstin
description The non-metal cation pentaborate(1−) salt [ p -H 2 NC 6 H 4 CH 2 NH 3 ][B 5 O 6 (OH) 4 ]·1/2H 2 O ( 1 ) was synthesised from B(OH) 3 and p -H 2 NC 6 H 4 CH 2 NH 2 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 P 2 1 . Powder SHG measurements on 1 and some related alkylammonium pentaborate salts, [NH 3 CMe 2 (CH 2 OH)][B 5 O 6 (OH) 4 ], [NH 3 CMe(CH 2 OH) 2 ][B 5 O 6 (OH) 4 ] and [NH 3 CHMeCH 2 OH][B 5 O 6 (OH) 4 ], a substituted imidazolium salt, [1,2,3-Me 3 C 3 H 2 N 2 ][B 5 O 6 (OH) 4 ], a substituted piperidinium salt, [(CH 2 ) 5 NH(CH 2 CH 2 OH)][B 5 O 6 (OH) 4 ], and a substituted pyrrolidinium salt, [ S -(+)-2-(HOCH 2 )C 4 H 7 NH 2 ][B 5 O 6 (OH) 4 ], were determined. Compound 1 and all compounds, except [1,2,3-Me 3 C 3 H 2 N 2 ][B 5 O 6 (OH) 4 ], showed some weak SHG activity with SHG efficiencies of 0.1–0.2 relative to that of KH 2 PO 4 (KDP).
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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 P 2 1 . Powder SHG measurements on 1 and some related alkylammonium pentaborate salts, [NH 3 CMe 2 (CH 2 OH)][B 5 O 6 (OH) 4 ], [NH 3 CMe(CH 2 OH) 2 ][B 5 O 6 (OH) 4 ] and [NH 3 CHMeCH 2 OH][B 5 O 6 (OH) 4 ], a substituted imidazolium salt, [1,2,3-Me 3 C 3 H 2 N 2 ][B 5 O 6 (OH) 4 ], a substituted piperidinium salt, [(CH 2 ) 5 NH(CH 2 CH 2 OH)][B 5 O 6 (OH) 4 ], and a substituted pyrrolidinium salt, [ S -(+)-2-(HOCH 2 )C 4 H 7 NH 2 ][B 5 O 6 (OH) 4 ], were determined. Compound 1 and all compounds, except [1,2,3-Me 3 C 3 H 2 N 2 ][B 5 O 6 (OH) 4 ], showed some weak SHG activity with SHG efficiencies of 0.1–0.2 relative to that of KH 2 PO 4 (KDP).</description><identifier>ISSN: 1040-7278</identifier><identifier>EISSN: 1572-8862</identifier><identifier>DOI: 10.1007/s10876-017-1205-1</identifier><identifier>PMID: 32226267</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Aqueous solutions ; Catalysis ; Chemistry ; Chemistry and Materials Science ; Crystallization ; Crystals ; Decomposition ; Inorganic Chemistry ; Investigations ; Nanochemistry ; NMR ; Nuclear magnetic resonance ; Original Paper ; Physical Chemistry ; Potassium phosphates ; Single crystals ; Substitutes</subject><ispartof>Journal of cluster science, 2017-07, Vol.28 (4), p.2087-2095</ispartof><rights>The Author(s) 2017</rights><rights>The Author(s) 2017. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). 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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 P 2 1 . Powder SHG measurements on 1 and some related alkylammonium pentaborate salts, [NH 3 CMe 2 (CH 2 OH)][B 5 O 6 (OH) 4 ], [NH 3 CMe(CH 2 OH) 2 ][B 5 O 6 (OH) 4 ] and [NH 3 CHMeCH 2 OH][B 5 O 6 (OH) 4 ], a substituted imidazolium salt, [1,2,3-Me 3 C 3 H 2 N 2 ][B 5 O 6 (OH) 4 ], a substituted piperidinium salt, [(CH 2 ) 5 NH(CH 2 CH 2 OH)][B 5 O 6 (OH) 4 ], and a substituted pyrrolidinium salt, [ S -(+)-2-(HOCH 2 )C 4 H 7 NH 2 ][B 5 O 6 (OH) 4 ], were determined. Compound 1 and all compounds, except [1,2,3-Me 3 C 3 H 2 N 2 ][B 5 O 6 (OH) 4 ], showed some weak SHG activity with SHG efficiencies of 0.1–0.2 relative to that of KH 2 PO 4 (KDP).</abstract><cop>New York</cop><pub>Springer US</pub><pmid>32226267</pmid><doi>10.1007/s10876-017-1205-1</doi><tpages>9</tpages><oa>free_for_read</oa></addata></record>
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subjects Aqueous solutions
Catalysis
Chemistry
Chemistry and Materials Science
Crystallization
Crystals
Decomposition
Inorganic Chemistry
Investigations
Nanochemistry
NMR
Nuclear magnetic resonance
Original Paper
Physical Chemistry
Potassium phosphates
Single crystals
Substitutes
title Synthesis, XRD Studies and NLO Properties of [p-H2NC6H4CH2NH3][B5O6(OH)4]·1/2H2O and NLO Properties of Some Related Pentaborate(1−) Salts
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