Influence of lone-pair activity on the bond parameters of lead bromide, lead chloride and lead oxide

Lead Pb(II) is challenging environment to study because it has electron lone pair, coordination number would vary from 2 to 10. The current study chooses chlorine, oxygen and bromine as coordination atoms because it bonded with one type of element in single crystal. The present research work is focu...

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Main Author:	Al Maamari, Badar Salim Hamed
Format:	Thesis
Language:	English
Published:	2020
Subjects:	Q Science (General)
Online Access:	http://eprints.utm.my/id/eprint/102117/1/BadarSalimHamedAlMaamariMFS2020.pdf.pdf
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spelling	my-utm-ep.1021172023-08-05T02:36:42Z Influence of lone-pair activity on the bond parameters of lead bromide, lead chloride and lead oxide 2020 Al Maamari, Badar Salim Hamed Q Science (General) Lead Pb(II) is challenging environment to study because it has electron lone pair, coordination number would vary from 2 to 10. The current study chooses chlorine, oxygen and bromine as coordination atoms because it bonded with one type of element in single crystal. The present research work is focused, to study the impact of electron lone pair on coordination number (CN), bond length and bond valence sum(BVS). The coordination number is the number of atom attachment with cation, which represents the central atom. The sample of the study includes 388 sites of Pb(II). Analysis of those sites consist of three types of single crystals; 44 of single-crystal Pb-O, 24 of single crystal Pb(II)-Cl and 18 of single crystal Pb(II)-Br (Uses for that different programs like Origin, Excel, Avogadro and Crystal Maker). Deduced through the graph (coordination number-frequency) lead prefers to bond with two or eight atoms of oxygen. Also, it is noted that lead prefers to bond with two atoms of chlorine while prefer to bond with five or six atoms of bromine. The pattern that lead follows in (coordination number-frequency), (bond length-frequency) and (bond valence sum-frequency) indicate that high value of bond length offset low bond valence sum and high coordination number while the low value of bond length offset high bond valence sum and low coordination number. This interpretation is according to distortion theory. Study correlations (LP magnitude –coordination number), (LP magnitude – bond length R) and (LP magnitude – bond valence sum) lead to confirm that the presence electron lone pair spread the values of coordination number, bond length and bond valence sum. The graph of coordination number energy is confirm on the fact that the crystal prefers a specific coordination number to be stable(less energy). Lone pair divided in two types active lone pair and non-active lone pair. When LP magnitude = 0, lone pair will not be active and there are symmetric bonds while when LP magnitude > 0, LP will be active and non –symmetric bonds. 2020 Thesis http://eprints.utm.my/id/eprint/102117/ http://eprints.utm.my/id/eprint/102117/1/BadarSalimHamedAlMaamariMFS2020.pdf.pdf application/pdf en public http://dms.library.utm.my:8080/vital/access/manager/Repository/vital:146104 masters Universiti Teknologi Malaysia Faculty of Science
institution	Universiti Teknologi Malaysia
collection	UTM Institutional Repository
language	English
topic	Q Science (General)
spellingShingle	Q Science (General) Al Maamari, Badar Salim Hamed Influence of lone-pair activity on the bond parameters of lead bromide, lead chloride and lead oxide
description	Lead Pb(II) is challenging environment to study because it has electron lone pair, coordination number would vary from 2 to 10. The current study chooses chlorine, oxygen and bromine as coordination atoms because it bonded with one type of element in single crystal. The present research work is focused, to study the impact of electron lone pair on coordination number (CN), bond length and bond valence sum(BVS). The coordination number is the number of atom attachment with cation, which represents the central atom. The sample of the study includes 388 sites of Pb(II). Analysis of those sites consist of three types of single crystals; 44 of single-crystal Pb-O, 24 of single crystal Pb(II)-Cl and 18 of single crystal Pb(II)-Br (Uses for that different programs like Origin, Excel, Avogadro and Crystal Maker). Deduced through the graph (coordination number-frequency) lead prefers to bond with two or eight atoms of oxygen. Also, it is noted that lead prefers to bond with two atoms of chlorine while prefer to bond with five or six atoms of bromine. The pattern that lead follows in (coordination number-frequency), (bond length-frequency) and (bond valence sum-frequency) indicate that high value of bond length offset low bond valence sum and high coordination number while the low value of bond length offset high bond valence sum and low coordination number. This interpretation is according to distortion theory. Study correlations (LP magnitude –coordination number), (LP magnitude – bond length R) and (LP magnitude – bond valence sum) lead to confirm that the presence electron lone pair spread the values of coordination number, bond length and bond valence sum. The graph of coordination number energy is confirm on the fact that the crystal prefers a specific coordination number to be stable(less energy). Lone pair divided in two types active lone pair and non-active lone pair. When LP magnitude = 0, lone pair will not be active and there are symmetric bonds while when LP magnitude > 0, LP will be active and non –symmetric bonds.
format	Thesis
qualification_level	Master's degree
author	Al Maamari, Badar Salim Hamed
author_facet	Al Maamari, Badar Salim Hamed
author_sort	Al Maamari, Badar Salim Hamed
title	Influence of lone-pair activity on the bond parameters of lead bromide, lead chloride and lead oxide
title_short	Influence of lone-pair activity on the bond parameters of lead bromide, lead chloride and lead oxide
title_full	Influence of lone-pair activity on the bond parameters of lead bromide, lead chloride and lead oxide
title_fullStr	Influence of lone-pair activity on the bond parameters of lead bromide, lead chloride and lead oxide
title_full_unstemmed	Influence of lone-pair activity on the bond parameters of lead bromide, lead chloride and lead oxide
title_sort	influence of lone-pair activity on the bond parameters of lead bromide, lead chloride and lead oxide
granting_institution	Universiti Teknologi Malaysia
granting_department	Faculty of Science
publishDate	2020
url	http://eprints.utm.my/id/eprint/102117/1/BadarSalimHamedAlMaamariMFS2020.pdf.pdf
_version_	1776100849797300224

Influence of lone-pair activity on the bond parameters of lead bromide, lead chloride and lead oxide

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