GChemPaint/C3/Orbital-Overlap/English - Revision history

PoojaMoolya at 09:46, 28 October 2020

2020-10-28T09:46:37Z

Madhurig at 12:06, 11 February 2014

2014-02-11T12:06:46Z

Madhurig at 12:00, 11 February 2014

2014-02-11T12:00:14Z

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Madhurig at 08:03, 10 February 2014

2014-02-10T08:03:12Z

Madhurig at 07:46, 10 February 2014

2014-02-10T07:46:54Z

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Madhurig at 07:17, 10 February 2014

2014-02-10T07:17:07Z

Madhurig at 12:49, 30 January 2014

2014-01-30T12:49:33Z

Madhurig at 12:39, 30 January 2014

2014-01-30T12:39:05Z

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Madhurig at 11:52, 30 January 2014

2014-01-30T11:52:01Z

Madhurig at 11:03, 30 January 2014

2014-01-30T11:03:04Z

@@ Line 227: / Line 227: @@
 Right click on the orbital, select ''' Orbital''' then click on '''Properties'''.
 |-
-||'''Orbital properties''' dialogue box opens.
+||'''Orbital properties''' dialog box opens.
 ||'''Orbital properties''' dialog box opens.
 |-

@@ Line 1: / Line 1: @@
-Title of the tutorial: '''Orbital overlap'''
+Title of the tutorial: '''Orbital Overlap'''
 Author: '''Madhuri Ganapathi'''
@@ Line 71: / Line 71: @@
 Here are 'p'  '''orbitals''' in different axes.
-'p' '''orbitals are '''"dumb-bell"''' shaped.
+'p' '''orbitals''' are '''"dumb-bell"''' shaped.
 |-
 ||'''Slide Numbers  7'''

@@ Line 148: / Line 148: @@
 |-
 ||Set '''Co-efficient''' value to 1.
-||Set '''Co-efficient''' value to one.
+||Set the '''Co-efficient''' value to one.
 |-
-||Click on '''Add or modify a atom''' tool.
+||Click on '''Add or modify an atom''' tool.
-||Click on '''Add or modify a atom''' tool.
+||Click on '''Add or modify an atom''' tool.
 |-
 ||Click '''Add a bond''' tool.
@@ Line 194: / Line 194: @@
 Ensure that bond length is around 200.
-Click on '''Display area'''.
+Click on the '''Display area'''.
 '''Fluorine''' molecule is formed.
@@ Line 201: / Line 201: @@
 ||Click on '''Add or modify an atomic orbital''' tool.
 |-
-||Click on 'p' orbital.
+||Click on the 'p' orbital.
-||Click on 'p' orbital.
+||Click on the 'p' orbital.
 |-
 ||Point to 'p' orbital
@@ Line 211: / Line 211: @@
 |-
 ||Click on the horizontal p orbital>> Click on '''Fluorine''' atom.
-||Click on horizontal 'p' orbital.
+||Click on the 'p' orbital.
 Click on one '''Fluorine''' atom.
@@ Line 266: / Line 266: @@
 |-
 ||Point to the arrow triangles.
-||For proper overlap, decrease the '''Coefficient''' value to around 0.8.
+||For proper overlap, decrease the '''Coefficient''' value to 0.8.
 |-
 ||Click on the bonded iron atoms to overlap '''dz^2''' orbitals.
 ||Click on the bonded Iron atoms to overlap '''"dz^2"''' orbitals.
 |-
 ||
@@ Line 279: / Line 281: @@
 ||Click on '''Add a bond''' tool.
-Ensure '''Bond length''' is close to 90.
+Ensure '''Bond length''' is around 90.
 Click on the '''Display area'''.
@@ Line 285: / Line 287: @@
 ||Click on '''Add or modify an atomic orbital''' tool.
 ||Click on '''Add or modify an atomic orbital''' tool.
 |-
 ||Click on 'p' orbital radio button>>
@@ Line 290: / Line 294: @@
 Click on the edges of the bonds.
 ||Click on 'p' orbital radio button.
 Rotate the orbital to vertical position if it is in horizontal position.
@@ Line 308: / Line 313: @@
 |-
 ||Switch to '''GChemPaint''' window.
-||I have opened a new '''GChempaint''' window.
+||I have opened a new '''GChempaint''' application.
 |-
 ||
@@ Line 316: / Line 321: @@
 ||Click on '''Add a bond''' tool.
-Ensure Bond length is around 90.
+Ensure that Bond length is around 90.
 Click on the '''Display area'''.
@@ Line 380: / Line 385: @@
 '''Summary'''
-||In this tutorial we have learnt ,
+||In this tutorial we have learnt,
 * About different types of orbitals

@@ Line 158: / Line 158: @@
 Click on '''Add or modify a atom''' tool.
 |-
-||Click '''Add a bond or change the multiplicity of the existing one''' tool.
+||Click '''Add a bond''' tool.
-Click '''Add a bond or change the multiplicity of the existing one''' tool.
+Click '''Add a bond''' tool.
 Ensure that bond length is around 130.
@@ Line 169: / Line 169: @@
 |-
 ||
-||Let's start with 's-s'(ss) end-on(endon) overlap.
+||Let's start with 's-s' end-on overlap.
 |-
 ||Click on '''Add or modify an atomic orbital''' tool.
@@ Line 181: / Line 181: @@
 then click on '''Hydrogen''' atoms of '''Hydrogen''' molecule.
-Observe 's-s'(ss) end-on(endon) overlap.
+Observe 's-s' end-on overlap.
 |-
 ||
-||Now to 'p-p'(pp) end-on(endon) overlap.
+||Now to 'p-p' end-on overlap.
 |-
 ||Press F on the keyboard
@@ Line 192: / Line 192: @@
 ||Click on '''Add or modify an atom''' tool.
 |-
-||Click '''Add a bond or change the multiplicity of the existing one''' tool.
+||Click '''Add a bond ''' tool.
 Point to the molecule.
-||Click '''Add a bond or change the multiplicity of the existing one''' tool.
+||Click '''Add a bond''' tool.
 Click on '''Display area'''.
@@ Line 208: / Line 208: @@
 |-
 ||
-||To form 'p-p'(pp) end-on(endon) overlap, we need 'p' orbitals in horizontal direction.
+||To form 'p-p' end-on overlap, we need 'p' orbitals in horizontal direction.
 |-
 ||Click and hold the up arrow triangle
@@ Line 235: / Line 235: @@
 ||'''Orbital properties''' dialog box opens.
 |-
-||Point to 'p-p'(pp) end-on(end on) overlap.
+||Point to 'p-p' end-on overlap.
 ||Reduce the '''Coefficient''' value till you see a proper overlap.
-Click on '''Close''' and observe the 'p-p'(pp) end-on(end on) overlap.
+Click on '''Close''' button
 |-
 ||
-||Now to 'd-d'(dd) end-on overlap using  'dz^2' orbital.
+||Now to 'd-d' end-on overlap using  'dz^2' orbital.
 |-
 ||Press capital '''F''' on the keyboard.
@@ Line 255: / Line 256: @@
 Click on the '''Display area'''.
 |-
-||Click on Add a bond or change the multiplicity of the existing one tool>>Click on Display area.
+||Click on '''Add a bond''' tool>>Click on Display area.
-||Click on '''Add a bond or change the multiplicity of the existing one''' tool.
+||Click on '''Add a bond ''' tool.
 Click on iron atom(Fe) to draw a bond.
@@ Line 278: / Line 279: @@
 Ensure that current element is '''Carbon'''.
 |-
-||Click on '''Add a bond or change the multiplicity of the existing one''' tool.
+||Click on '''Add a bond''' tool.
-||Click on '''Add a bond or change the multiplicity of the existing one''' tool.
+||Click on '''Add a bond''' tool.
 Ensure '''Bond length''' is close to 90 and click on the '''Display area'''.
@@ Line 317: / Line 318: @@
 ||I have opened a new '''GChempaint''' window.
 |-
-||Click on '''Add a bond and change the multiplicity of the existing''' tool >>Click on the '''Display area'''.
+||Click on '''Add a bond''' tool >>Click on the '''Display area'''.
-||Click on '''Add a bond and change the multiplicity of the existing''' tool.
+||Click on '''Add a bond''' tool.
 Click on the '''Display area'''.
@@ Line 346: / Line 347: @@
 ||Here is a slide for zero overlap.
 |-
-||Click on '''Add a bond and change the multiplicity of the existing''' tool>>
+||Click on '''Add a bond''' tool>>
 Click on the '''Display area'''.
-||Click on '''Add a bond and change the multiplicity of the existing''' tool.
+||Click on '''Add a bond''' tool.
 Click on the ''' Display area.'''
@@ Line 382: / Line 383: @@
 * About different types of orbitals
-* End-on(endon) and side-wise(sidewise) overlaps
+* End-on and side-wise overlaps
 * Rotation and resize of orbitals
@@ Line 399: / Line 400: @@
 * Draw other negative and zero overlaps.
-* Hint: Rotate the orbitals for proper overlap.
+* Hint: Rotate and resize the orbitals for proper overlap.
 Your completed assignment should look like this.
@@ Line 433: / Line 434: @@
 |-
 ||
-||Drawings are contributed by Arathi
+||Drawings are contributed by '''Arathi'''
 This is '''Madhuri Ganapathi''' from '''IIT Bombay''' signing off. Thank you for joining.
 |}

@@ Line 67: / Line 67: @@
 |-
 ||Slide Numbers 6
 '''‘s’ and ‘p’ Orbitals'''
@@ Line 73: / Line 74: @@
 It has '''spherical''' shape.
 Here are 'p'  orbitals in different axes.
@@ Line 84: / Line 86: @@
 ||Switch to '''GChemPaint''' application.
-I have opened a new '''GChemPaint''' application.
+||I have opened a new '''GChemPaint''' application.
 |-
 ||
@@ Line 108: / Line 110: @@
 Point to the orbital shapes.
-||
+||Let's click on '''p, d xy''' and '''d z square orbital''' radio buttons.
-Let's click on '''p, d xy''' and''' d z square  orbital''' radio buttons.
 Notice the different orbital shapes displayed alongside.
@@ Line 168: / Line 169: @@
 |-
 ||
-||Let's start with 's-s' end-on overlap.
+||Let's start with 's-s'(ss) end-on(endon) overlap.
 |-
 ||Click on '''Add or modify an atomic orbital''' tool.
@@ Line 177: / Line 178: @@
 Point to the s-s end on overlap.
 ||Click on 's' orbital,
 then click on '''Hydrogen''' atoms of '''Hydrogen''' molecule.
-Observe 's-s' end-on overlap.
+Observe 's-s'(ss) end-on(endon) overlap.
 |-
 ||
-||Now to 'p-p' end-on overlap.
+||Now to 'p-p'(pp) end-on(endon) overlap.
 |-
 ||Press F on the keyboard
@@ Line 206: / Line 208: @@
 |-
 ||
-||To form 'p-p' end-on overlap, we need 'p' orbitals in horizontal direction.
+||To form 'p-p'(pp) end-on(endon) overlap, we need 'p' orbitals in horizontal direction.
 |-
 ||Click and hold the up arrow triangle
@@ Line 233: / Line 235: @@
 ||'''Orbital properties''' dialog box opens.
 |-
-||Point to 'p-p' end-on overlap.
+||Point to 'p-p'(pp) end-on(end on) overlap.
 ||Reduce the '''Coefficient''' value till you see a proper overlap.
-Click on '''Close''' and observe the 'p-p'(pp) end-on overlap.
+Click on '''Close''' and observe the 'p-p'(pp) end-on(end on) overlap.
 |-
 ||

@@ Line 119: / Line 119: @@
 |-
 ||Press the down arrow continuously till it reaches 0.6 or so.
-||Using '''Coefficient''' field values, we can vary the size of the orbital.
+||Using '''Coefficient''' field values, we can vary the size of the '''orbital'''.
 Notice that size of the orbital alongside, has changed.
@@ Line 134: / Line 134: @@
 ||
 ||Let's see how to use orbitals to show different types of positive overlaps.
-|-
+|-7
 ||Slide Number 8
 Positive Overlaps
 ||
-Here is a slide for Positive overlap of different orbitals.
+Here is a slide for '''Positive overlap''' of different orbitals.
-'s-s', 's-p', 'p-p' end-on overlaps and 'p-p' side-wise overlap.
+'ss', 'sp', 'pp' end-on overlaps and 'pp' side-wise overlap.
 |-
 ||Switch to GchemPaint window.

@@ Line 57: / Line 57: @@
 ||
-Let's first see what an atomic orbital is.
+Let's first see what an '''atomic orbital''' is.
-An atomic orbital is a mathematical function.
+An '''atomic orbital''' is a mathematical function.
 It describes the wave-like behavior of an electron in an atom.
-An orbital is a region of space with maximum probability of finding an electron.
+An '''orbital''' is a region of space with maximum probability of finding an electron.
 |-
 ||Slide Numbers 6
@@ Line 88: / Line 88: @@
 ||Let's first learn about orbitals.
 |-
-||Click on Add or modify an atomic orbital tool
+||Click on '''Add or modify an atomic orbital''' tool
-||Click on Add or modify an atomic orbital tool.
+||Click on '''Add or modify an atomic orbital''' tool.
 |-
 ||Point to the properties window.
-||The Orbital property window opens.
+||The '''Orbital''' property window opens.
 |-
 ||Point to the properties.
-||This window contains fields like- Coefficient, Rotation and Type.
+||This window contains fields like- '''Coefficient, Rotation''' and '''Type'''.
 |-
 ||Point to Type field.
-||First, I will begin with Type.
+||First, I will begin with '''Type'''.
 |-
 ||Point to 's'
-||By default,  's'  orbital is selected.
+||By default,  's'  '''orbital''' is selected.
 |-
-||Click on p, dxy and dz^2  radio buttons.
+||Click on '''p, dxy''' and '''dz^2'''  radio buttons.
 Point to the orbital shapes.
 ||
-Let's click on p, d xy and d z square  orbital radio buttons.
+Let's click on '''p, d xy''' and''' d z square  orbital''' radio buttons.
 Notice the different orbital shapes displayed alongside.
 |-
 ||Point to  Coefficient and Rotation
-||Next let's check the Coefficient and Rotation properties.
+||Next let's check the '''Coefficient''' and '''Rotation''' properties.
 |-
 ||Cursor on the value box
-||
+||'''Coefficient''' property has values from -1.00 to 1.00.
 Coefficient property has values from -1.00 to 1.00.
 |-
 ||Press the down arrow continuously till it reaches 0.6 or so.
-||Using Coefficient field values, we can vary the size of the orbital.
+||Using '''Coefficient''' field values, we can vary the size of the orbital.
 Notice that size of the orbital alongside, has changed.