Structural and optical properties investigation on H-bonded 1D helical self-assembly of 1,1-dibenzyl-3-(2-Bromobenzoyl)thiourea molecules for nonlinear optical application
A benzoylthiourea molecule namely 1,1-dibenzyl-3-(2-bromobenzoyl)thiourea (2BrBT) was synthesized and characterized by C, H, N and S elemental, mass spectrometry and spectroscopic analyses (infrared, ultraviolet-visible and nuclear magnetic resonance). The 2BrBT compound crystallized in a tetragon...
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| Format: | Article |
| Language: | English |
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Penerbit Universiti Kebangsaan Malaysia
2018
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| Online Access: | http://journalarticle.ukm.my/12059/1/UKM%20SAINSMalaysiana%2047%2804%29Apr%202018%2012.pdf |
| _version_ | 1796931607923261440 |
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| author | Lee, Mark Wun Fui Mohd Faizal Md Nasir, Mohammad Kassim, |
| author_facet | Lee, Mark Wun Fui Mohd Faizal Md Nasir, Mohammad Kassim, |
| author_sort | Lee, Mark Wun Fui |
| collection | UKM |
| description | A benzoylthiourea molecule namely 1,1-dibenzyl-3-(2-bromobenzoyl)thiourea (2BrBT) was synthesized and characterized
by C, H, N and S elemental, mass spectrometry and spectroscopic analyses (infrared, ultraviolet-visible and nuclear
magnetic resonance). The 2BrBT compound crystallized in a tetragonal system with the space group P43 and exhibits
an acentric crystalline packing due to the presence of intermolecular H-bonding network that forms a self-assembly
of 1D helical motif. The asymmetric delocalisation of electrons in the molecule retains its transparency throughout the
visible and near-infrared region and hence, essentially propagates the macroscopic helical motif in the solid state. The
highest-occupied and lowest-unoccupied molecular orbital (HOMO/LUMO) are mainly found on the thiourea moiety and
the benzoylthiourea fragment, respectively and shows an optical bandgap of 3.50 eV. The influence of its geometrical
characteristics to the optical properties of 2BrBT is established and discussed in view of nonlinear optical (NLO)
application. |
| first_indexed | 2024-03-06T04:20:28Z |
| format | Article |
| id | ukm.eprints-12059 |
| institution | Universiti Kebangsaan Malaysia |
| language | English |
| last_indexed | 2024-03-06T04:20:28Z |
| publishDate | 2018 |
| publisher | Penerbit Universiti Kebangsaan Malaysia |
| record_format | dspace |
| spelling | ukm.eprints-120592018-09-16T23:23:51Z http://journalarticle.ukm.my/12059/ Structural and optical properties investigation on H-bonded 1D helical self-assembly of 1,1-dibenzyl-3-(2-Bromobenzoyl)thiourea molecules for nonlinear optical application Lee, Mark Wun Fui Mohd Faizal Md Nasir, Mohammad Kassim, A benzoylthiourea molecule namely 1,1-dibenzyl-3-(2-bromobenzoyl)thiourea (2BrBT) was synthesized and characterized by C, H, N and S elemental, mass spectrometry and spectroscopic analyses (infrared, ultraviolet-visible and nuclear magnetic resonance). The 2BrBT compound crystallized in a tetragonal system with the space group P43 and exhibits an acentric crystalline packing due to the presence of intermolecular H-bonding network that forms a self-assembly of 1D helical motif. The asymmetric delocalisation of electrons in the molecule retains its transparency throughout the visible and near-infrared region and hence, essentially propagates the macroscopic helical motif in the solid state. The highest-occupied and lowest-unoccupied molecular orbital (HOMO/LUMO) are mainly found on the thiourea moiety and the benzoylthiourea fragment, respectively and shows an optical bandgap of 3.50 eV. The influence of its geometrical characteristics to the optical properties of 2BrBT is established and discussed in view of nonlinear optical (NLO) application. Penerbit Universiti Kebangsaan Malaysia 2018-04 Article PeerReviewed application/pdf en http://journalarticle.ukm.my/12059/1/UKM%20SAINSMalaysiana%2047%2804%29Apr%202018%2012.pdf Lee, Mark Wun Fui and Mohd Faizal Md Nasir, and Mohammad Kassim, (2018) Structural and optical properties investigation on H-bonded 1D helical self-assembly of 1,1-dibenzyl-3-(2-Bromobenzoyl)thiourea molecules for nonlinear optical application. Sains Malaysiana, 47 (4). pp. 741-747. ISSN 0126-6039 http://www.ukm.my/jsm/malay_journals/jilid47bil4_2018/KandunganJilid47Bil4_2018.htm |
| spellingShingle | Lee, Mark Wun Fui Mohd Faizal Md Nasir, Mohammad Kassim, Structural and optical properties investigation on H-bonded 1D helical self-assembly of 1,1-dibenzyl-3-(2-Bromobenzoyl)thiourea molecules for nonlinear optical application |
| title | Structural and optical properties investigation on H-bonded 1D helical self-assembly of 1,1-dibenzyl-3-(2-Bromobenzoyl)thiourea molecules for
nonlinear optical application |
| title_full | Structural and optical properties investigation on H-bonded 1D helical self-assembly of 1,1-dibenzyl-3-(2-Bromobenzoyl)thiourea molecules for
nonlinear optical application |
| title_fullStr | Structural and optical properties investigation on H-bonded 1D helical self-assembly of 1,1-dibenzyl-3-(2-Bromobenzoyl)thiourea molecules for
nonlinear optical application |
| title_full_unstemmed | Structural and optical properties investigation on H-bonded 1D helical self-assembly of 1,1-dibenzyl-3-(2-Bromobenzoyl)thiourea molecules for
nonlinear optical application |
| title_short | Structural and optical properties investigation on H-bonded 1D helical self-assembly of 1,1-dibenzyl-3-(2-Bromobenzoyl)thiourea molecules for
nonlinear optical application |
| title_sort | structural and optical properties investigation on h bonded 1d helical self assembly of 1 1 dibenzyl 3 2 bromobenzoyl thiourea molecules for nonlinear optical application |
| url | http://journalarticle.ukm.my/12059/1/UKM%20SAINSMalaysiana%2047%2804%29Apr%202018%2012.pdf |
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