Determination of nonlinear optical properties of phthalocyanine regioisomers using computational models
- Date: 2020
- Subjects: Electrochemistry , Phthalocyanines , Nanoparticles , Nonlinear optics , Nonlinear optical spectroscopy , Refraction
- Language: English
- Type: text , Thesis , Doctoral , PhD
- Identifier: http://hdl.handle.net/10962/166197 , vital:41337
- Description: This work investigates the effects of the nonlinear optical properties of four different constitutional isomers (C4h, C2v, Cs, and D2h) of a series of tetrasubstituted phthalocyanines (free-base 3-4-tert-butylphenoxyether phthalocyanines, free-base 4-4-tertbutylphenoxyether phthalocyanines, SnCl2 tetra substituted 3-4-tert-butylphenoxyether phthalocyanine, and SnCl2 tetra substituted 4-4-tert-butylphenoxyether phthalocyanine). The properties investigated were the real and imaginary components of the 3rd order hyperpolarizability, as well as the excited state absorption and refraction cross sections. The investigations were performed with a z-scan over a range of laser beam intensities. This work determined the imaginary component of the 3rd order hyperpolarizability for the free-base and SnCl2 3-4-tert-butylphenoxyether phthalocyanines and 4-4-tert-butylphenoxyether phthalocyanines to be highly dependent on the excited state cross sections. The refraction caused due to the real component of the 3rd order hyperpolarizability of the phthalocyanines was also investigated, however, the values found were strongly dependent on the laser beam intensity and the cause of this was investigated. A Five-level model was developed and run on GPGPU computing devices in order to isolate the absorption and refractive cross sections. Theeffects of the regio substitution on the excited state cross sections were also investigated, and the 1st singlet excited state and 1st triplet state absorption cross sections were calculated for all constitutional isomers. It was found that the symmetry of the constitutional isomers have a disproportionately large effect on the excited state absorption when compared to the ground state absorption. The nonlinear refractive properties of all constitutional isomers were also investigated, and the values of the parametric susceptibility are reported herein. The nonlinear refraction was found to have less effect than was seen in the nonlinear absorption. The 1st singlet excited state and 1st triplet state refractive cross sections of all constitutional isomer was determined. The results indicated that if more than one excited state was present and contributing to the nonlinear refraction, then more data than was collected here would be required. However, the 1st singlet excited state cross section were successfully determined for the free-base constitutional isomers. This work concluded that the region substitution affected the excited states more than the ground state.
- Full Text:
- Date Issued: 2020
- Date: 2020
- Subjects: Electrochemistry , Phthalocyanines , Nanoparticles , Nonlinear optics , Nonlinear optical spectroscopy , Refraction
- Language: English
- Type: text , Thesis , Doctoral , PhD
- Identifier: http://hdl.handle.net/10962/166197 , vital:41337
- Description: This work investigates the effects of the nonlinear optical properties of four different constitutional isomers (C4h, C2v, Cs, and D2h) of a series of tetrasubstituted phthalocyanines (free-base 3-4-tert-butylphenoxyether phthalocyanines, free-base 4-4-tertbutylphenoxyether phthalocyanines, SnCl2 tetra substituted 3-4-tert-butylphenoxyether phthalocyanine, and SnCl2 tetra substituted 4-4-tert-butylphenoxyether phthalocyanine). The properties investigated were the real and imaginary components of the 3rd order hyperpolarizability, as well as the excited state absorption and refraction cross sections. The investigations were performed with a z-scan over a range of laser beam intensities. This work determined the imaginary component of the 3rd order hyperpolarizability for the free-base and SnCl2 3-4-tert-butylphenoxyether phthalocyanines and 4-4-tert-butylphenoxyether phthalocyanines to be highly dependent on the excited state cross sections. The refraction caused due to the real component of the 3rd order hyperpolarizability of the phthalocyanines was also investigated, however, the values found were strongly dependent on the laser beam intensity and the cause of this was investigated. A Five-level model was developed and run on GPGPU computing devices in order to isolate the absorption and refractive cross sections. Theeffects of the regio substitution on the excited state cross sections were also investigated, and the 1st singlet excited state and 1st triplet state absorption cross sections were calculated for all constitutional isomers. It was found that the symmetry of the constitutional isomers have a disproportionately large effect on the excited state absorption when compared to the ground state absorption. The nonlinear refractive properties of all constitutional isomers were also investigated, and the values of the parametric susceptibility are reported herein. The nonlinear refraction was found to have less effect than was seen in the nonlinear absorption. The 1st singlet excited state and 1st triplet state refractive cross sections of all constitutional isomer was determined. The results indicated that if more than one excited state was present and contributing to the nonlinear refraction, then more data than was collected here would be required. However, the 1st singlet excited state cross section were successfully determined for the free-base constitutional isomers. This work concluded that the region substitution affected the excited states more than the ground state.
- Full Text:
- Date Issued: 2020
Non-marital fertility in South Africa: trends, determinants and implications
- Authors: Kara, Reesha
- Date: 2020
- Subjects: Fertility, Human -- South Africa , Child rearing -- South Africa , Parenting -- South Africa , Motherhood -- South Africa
- Language: English
- Type: text , Thesis , Doctoral , PhD
- Identifier: http://hdl.handle.net/10962/165620 , vital:41264
- Description: Background: Non-martial fertility is traditionally associated with teenage pregnancy however international and South African literature has detailed increases in the number of adult women who are having children outside of a marriage. South African literature on non-marital fertility is sparse as it lacks a national overview of the trends and determinants of non-marital fertility among women aged 30 and older. The aim of this study was to present a national overview of non-marital fertility among women aged 30 and older. South African’s attitudes to and opinions of non-marital fertility were also investigated, and the lived realities of older mothers were explored. Methods: A mixed-methods research design was employed where the General Household Survey, National Income Dynamics Study and the South African Social Attitudes Survey were the main data sources. Using these data sets, descriptive and inferential statistics were computed using Stata. Using purposive and snowball sampling, four never-married older mothers (NMOMs) from KwaZulu-Natal (Durban) were identified as research participants. The in-depth life histories of these women were collected through face-to- face semi-structured interviews. Results: The results show an 18.43% increase in never-married mothers aged 15- 49 between 2002 and 2017 and interestingly, this increase is not necessarily driven by older mothers (30-49). NMOMs belonged to households with a lower average per capita total monthly household income (R1873.91) compared to all mothers aged 30-49 (R3428.76). NMOMs were also more likely to live in female-headed households (89.52%), to be household heads (64.22%) and to live in traditional areas (35.72%). Between 2002 and 2017, there was a 76.76% increase in mothers (aged 30-49) who were never married and a 7.74% decrease in those who were married, indicating a change in the marital profile of mothers. Despite this national increase in non-marital fertility, South African’s believe that premarital sexual activity is wrong, and that childbearing should take place within a marriage. Similar sentiments were echoed in the in-depth life histories as being the sole breadwinner and primary caregiver, the research participants experienced challenges as single mothers. Conclusion and recommendations: The study has found that there has been an increase in non-marital fertility in South Africa between 2002 and 2017 and that there is an economic element to non-marital fertility in the country. Additional research into non-marital fertility at a national level is recommended with a focus on all women aged 15-49.
- Full Text:
- Date Issued: 2020
- Authors: Kara, Reesha
- Date: 2020
- Subjects: Fertility, Human -- South Africa , Child rearing -- South Africa , Parenting -- South Africa , Motherhood -- South Africa
- Language: English
- Type: text , Thesis , Doctoral , PhD
- Identifier: http://hdl.handle.net/10962/165620 , vital:41264
- Description: Background: Non-martial fertility is traditionally associated with teenage pregnancy however international and South African literature has detailed increases in the number of adult women who are having children outside of a marriage. South African literature on non-marital fertility is sparse as it lacks a national overview of the trends and determinants of non-marital fertility among women aged 30 and older. The aim of this study was to present a national overview of non-marital fertility among women aged 30 and older. South African’s attitudes to and opinions of non-marital fertility were also investigated, and the lived realities of older mothers were explored. Methods: A mixed-methods research design was employed where the General Household Survey, National Income Dynamics Study and the South African Social Attitudes Survey were the main data sources. Using these data sets, descriptive and inferential statistics were computed using Stata. Using purposive and snowball sampling, four never-married older mothers (NMOMs) from KwaZulu-Natal (Durban) were identified as research participants. The in-depth life histories of these women were collected through face-to- face semi-structured interviews. Results: The results show an 18.43% increase in never-married mothers aged 15- 49 between 2002 and 2017 and interestingly, this increase is not necessarily driven by older mothers (30-49). NMOMs belonged to households with a lower average per capita total monthly household income (R1873.91) compared to all mothers aged 30-49 (R3428.76). NMOMs were also more likely to live in female-headed households (89.52%), to be household heads (64.22%) and to live in traditional areas (35.72%). Between 2002 and 2017, there was a 76.76% increase in mothers (aged 30-49) who were never married and a 7.74% decrease in those who were married, indicating a change in the marital profile of mothers. Despite this national increase in non-marital fertility, South African’s believe that premarital sexual activity is wrong, and that childbearing should take place within a marriage. Similar sentiments were echoed in the in-depth life histories as being the sole breadwinner and primary caregiver, the research participants experienced challenges as single mothers. Conclusion and recommendations: The study has found that there has been an increase in non-marital fertility in South Africa between 2002 and 2017 and that there is an economic element to non-marital fertility in the country. Additional research into non-marital fertility at a national level is recommended with a focus on all women aged 15-49.
- Full Text:
- Date Issued: 2020
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