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

Pratik kamble at 12:27, 27 March 2017

2017-03-27T12:27:00Z

Pratik kamble at 12:14, 7 March 2017

2017-03-07T12:14:33Z

Pratik kamble at 11:45, 11 May 2015

2015-05-11T11:45:02Z

Sandhya.np14 at 03:48, 11 February 2015

2015-02-11T03:48:05Z

PoojaMoolya at 11:22, 12 August 2014

2014-08-12T11:22:00Z

Gaurav at 06:22, 7 August 2014

2014-08-07T06:22:57Z

Gaurav at 06:22, 7 August 2014

2014-08-07T06:22:29Z

Gaurav: Created page with '{|border=1 |'''Time''' |'''Narration''' |- |00:00 |Hello everyone. |- |00:01 |Welcome to this tutorial on '''Orbital Overlap''' in '''GChemPaint'''. |- |00:06 |In this tutori…'

2014-08-07T06:22:18Z

Created page with '{|border=1 |'''Time''' |'''Narration''' |- |00:00 |Hello everyone. |- |00:01 |Welcome to this tutorial on '''Orbital Overlap''' in '''GChemPaint'''. |- |00:06 |In this tutori…'

New page

{|border=1
|'''Time'''
|'''Narration'''

|-
|00:00
|Hello everyone.

|-
|00:01
|Welcome to this tutorial on '''Orbital Overlap''' in '''GChemPaint'''.

|-
|00:06
|In this tutorial, we will learn

|-
|00:08
|* About different types of orbitals

|-
|00:11
|* Rotation and resize of orbitals

|-
|00:14
|* Types of orbital overlaps

|-
|00:17
|Here I am using '''Ubuntu Linux''' OS version 12.04.

|-
|00:21
|'''GChemPaint''' version 0.12.10.

|-
|00:26
|To follow this tutorial, you should be familiar with

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|00:31
|'''GChemPaint''' chemical structure editor.

|-
|00:34
|If not, for relevant tutorials, please visit our website.

|-
|00:38
|Let us first see what an '''atomic orbital''' is.

|-
|00:42
|An '''atomic orbital''' is a mathematical function.

|-
|00:46
|It describes the wave-like behavior of an electron in an atom.

|-
|00:52
|An '''orbital''' is a region of space with maximum probability of finding an electron.

|-
|00:58
|This is an 's' '''orbital'''.

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|01:00
|It has '''spherical''' shape.

|-
|01:03
|Here are 'p' '''orbitals''' in different axes.

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|01:06
|'p' '''orbitals''' are '''"dumb-bell"''' shaped.

|-
|01:09
|Next, we have 'd' '''orbitals''' in different axes.

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|01:13
|'d' '''orbitals''' are '''double "dumb-bell"''' shaped.

|-
|01:17
|I have opened a new '''GChemPaint''' application.

|-
|01:20
|Let us first learn about '''orbitals'''.

|-
|01:24
|Click on '''Add or modify an atomic orbital''' tool.

|-
|01:28
|'''Orbital''' property window opens.

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|01:30
|This window contains fields like- '''Coefficient, Rotation''' and '''Type'''.

|-
|01:36
|First, I will begin with '''Type'''.

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|01:40
|By default, 's' '''orbital''' is selected.

|-
|01:42
|Let us click on '''p, d xy''' and '''d z square orbital''' radio buttons.

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|01:50
|Notice the different '''orbital''' shapes displayed alongside.

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|01:54
|Next let us check the '''Coefficient''' and '''Rotation''' properties.

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|01:59
|'''Coefficient''' property has values from -1.00 to 1.00.

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|02:04
|Using '''Coefficient''' field values, we can vary the size of the '''orbital'''.

|-
|02:10
|Notice that the size of the ''' orbital''' alongside, has changed.

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|02:15
|'''Rotation''' property has values from -180(minus) to 180.

|-
|02:20
|We can rotate the '''orbitals''' clockwise or anticlockwise.

|-
|02:25
|Values can be changed by using the up or down arrows.

|-
|02:30
|Let us see how to use '''orbitals''' to show different types of '''Positive overlaps'''.

|-
|02:36
|Here is a slide for '''Positive overlap''' of different orbitals.

|-
|02:40
|''''s-s'overlap, 's-p'overlap, 'p-p'overlap''' and ''''p-p' side-wise overlap'''.

|-
|02:51
|Let us draw '''Hydrogen''' molecule on the '''Display area'''.

|-
|02:55
|Press H on the keyboard.

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|02:58
|Set the '''Co-efficient''' value to one.

|-
|03:01
|Click on '''Add or modify an atom''' tool.

|-
|03:04
|Click '''Add a bond''' tool.

|-
|03:07
|Ensure that bond length is around 130.

|-
|03:11
|Click on the''' Display area'''.

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|03:14
|'''Hydrogen''' molecule is formed.

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|03:17
|Let's start with 's-s' end-on overlap.

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|03:20
|Click on '''Add or modify an atomic orbital''' tool.

|-
|03:24
|Click on 's' '''orbital''',

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|03:28
|Then click on '''Hydrogen''' atoms of '''Hydrogen''' molecule.

|-
|03:33
|Observe 's-s' end-on overlap.

|-
|03:35
|Now to 'p-p' end-on overlap.

|-
|03:38
|Press F on the keyboard.

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|03:42
|Click on '''Add or modify an atom''' tool.

|-
|03:45
|Click '''Add a bond''' tool.

|-
|03:49
|Ensure that bond length is around 200.

|-
|03:53
|Click on the '''Display area'''.

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|03:56
|'''Fluorine''' molecule is formed.

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|03:59
|Click on '''Add or modify an atomic orbital''' tool.

|-
|04:02
|Click on the ''''p' orbital'''.

|-
|04:05
|To form 'p-p' end-on overlap, we need 'p' '''orbitals''' in horizontal direction.

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|04:11
|Let us increase the '''Rotation''' value to 90.

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|04:15
|Click on the ''''p'''' '''orbital'''.

|-
|04:18
|Click on one '''Fluorine''' atom.

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|04:21
|Likewise, repeat the process and rotate the 'p' '''orbital''' to '-90'(minus90).

|-
|04:27
|Click on the other '''Fluorine''' atom.

|-
|04:30
|In case you are not able to view the orbital clearly, you can resize the '''orbital'''.

|-
|04:36
|To do so, we have to change the '''Coefficient''' value.

|-
|04:40
|Right click on the orbital, select ''' Orbital''' then click on '''Properties'''.

|-
|04:46
|'''Orbital properties''' dialog box opens.

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|04:50
|Reduce the '''Coefficient''' value till you see a proper overlap.

|-
|04:54
|Click on '''Close''' button

|-
|04:57
|I will repeat the process for the other orbital

|-
|05:01
|Observe 'p-p' end-on overlap.

|-
|05:04
|Now to 'd-d' end-on overlap using ''''dz^2' orbital'''.

|-
|05:09
|Come to the '''Display Area''' and press capital '''F''' on the keyboard.

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|05:14
|Select '''Fe''' from the list.

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|05:17
|Click on '''Add or modify an atom''' tool.

|-
|05:20
|Click on the '''Display area'''.

|-
|05:23
|Click on '''Add a bond ''' tool.

|-
|05:26
|Click on iron atom(Fe) to draw a bond.

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|05:29
|Click on '''Add or modify an atomic orbital''' tool.

|-
|05:32
|Select ''''dz^2'''' '''orbital''' radio button.

|-
|05:37
|For proper overlap, decrease the '''Coefficient''' value to 0.8.

|-
|05:42
|Click on the bonded Iron atoms to overlap '''"dz^2" orbitals'''.

|-
|05:49
|Observe 'd-d' end-on overlap.

|-
|05:52
|Now let's learn about side-wise overlap of 'p' orbitals.

|-
|05:57
|Ensure that current element is '''Carbon'''.

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|06:02
|Click on '''Add a bond''' tool.

|-
|06:05
|Ensure '''Bond length''' is around 90.

|-
|06:08
|Click on the '''Display area'''.

|-
|06:12
|Click on '''Add or modify an atomic orbital''' tool.

|-
|06:16
|Increase the '''Coefficient''' value to one

|-
|06:20
|Click on 'p' '''orbital''' radio button.

|-
|06:23
|Rotate the 'p' '''orbital''' to vertical position if it is in horizontal position.

|-
|06:29
|Click on the edges of the bonds.

|-
|06:32
|Observe the 'p-p' side-wise overlap.

|-
|06:37
|In this type of overlap, lobes of '''orbitals''' are of same sign.

|-
|06:43
|Next, we will move to '''negative''' and '''zero overlaps'''.

|-
|06:46
|Here is a slide for '''negative''' overlaps.

|-
|06:51
|I have opened a new '''GChempaint''' application.

|-
|06:55
|Now, I will demonstrate how to draw a '''negative overlap'''.

|-
|06:59
|Click on '''Add a bond''' tool.

|-
|07:02
|Ensure that Bond length is around 90.

|-
|07:05
|Click on the '''Display area'''.

|-
|07:08
|Click on '''Add or modify an atomic orbital''' tool.

|-
|07:12
|Click on ''''p' orbital''' radio button then click on one edge of the bond.

|-
|07:17
|Rotate the ''''p' orbital''' to 180 degree to flip it upside down.

|-
|07:23
|Then click other edge of the bond.

|-
|07:27
|Observe '''negative overlap'''.

|-
|07:29
|In this type of overlap, lobes of '''orbitals''' are of opposite sign.

|-
|07:34
|Now, let's learn how to create a '''zero overlap'''.

|-
|07:38
|Here is a slide for '''zero overlap'''.

|-
|07:42
|Click on '''Add a bond''' tool.

|-
|07:45
|Click on the ''' Display area.'''

|-
|07:48
|Click on '''Add or modify an atomic orbital''' tool.

|-
|07:52
|Click on the 'p' orbital.

|-
|07:54
|Rotate the''' 'p' orbital''' to original position.

|-
|07:59
|Click on one edge of the bond.

|-
|08:02
|Click on ''''s' orbital'''

|-
|08:05
|and then click on other edge of the bond.

|-
|08:09
|Observe '''zero overlap'''.

|-
|08:12
|In this type of overlap, orientation of the '''orbitals''' is not same.

|-
|08:17
|Let us summarize what we have learnt.

|-
|08:20
|In this tutorial we have learnt,
* About different types of '''orbitals'''

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|08:24
|* End-on and side-wise overlaps

|-
|08:27
|* Rotation and resize of orbitals

|-
|08:30
|* Positive, negative and zero overlap.

|-
|08:34
|Here is an assignment.

|-
|08:36
|* Draw 's-p' end-on overlap with Hydrogen chloride(H-Cl) molecule

|-
|08:40
|* Draw side-wise overlap of 'dxy-dxy' orbitals

|-
|08:44
|* Draw other negative and zero overlaps.

|-
|08:48
|* Hint: Rotate and resize the orbitals for proper overlap.

|-
|08:56
|Your completed assignment should look like this.

|-
|09:00
|Watch the video available at this URL '''http://spoken-tutorial.org/What_is_a_Spoken_Tutorial'''

|-
|09:04
|It summarizes the Spoken Tutorial project

|-
|09:07
|If you do not have good bandwidth, you can download and watch it

|-
|09:12
|The Spoken Tutorial Project Team Conducts workshops using spoken tutorials

|-
|09:16
|Gives certificates to those who pass an on-line test

|-
|09:20
|For more details, please write to '''contact@spoken-tutorial.org'''

|-
|09:27
|Spoken Tutorial Project is a part of the Talk to a Teacher project

|-
|09:31
|It is supported by the National Mission on Education through ICT, MHRD, Government of India.

|-
|09:37
|More information on this Mission is available at this link '''http://spoken-tutorial.org/NMEICT-Intro'''

|-
|09:43
|Drawings are contributed by '''Arathi'''

|-
|09:45
|This is '''Madhuri Ganapathi''' from '''IIT Bombay''' signing off. Thank you for joining.

|}

← Older revision		Revision as of 11:45, 11 May 2015
Line 1:		Line 1:
−	~~Title of the tutorial: Orbital Overlap~~
−
−	~~Author: Madhuri Ganapathi~~
−
−	~~Key words: Atomic orbital, Add or modify an atomic orbital tool, rotation and resize of orbitals, positive, negative overlaps and zero overlap, Video tutorial~~
−
	{\|border=1		{\|border=1
	\|'''Time'''		\|'''Time'''

← Older revision		Revision as of 11:22, 12 August 2014
Line 1:		Line 1:
		+	Title of the tutorial: Orbital Overlap
		+
		+	Author: Madhuri Ganapathi
		+
		+	Key words: Atomic orbital, Add or modify an atomic orbital tool, rotation and resize of orbitals, positive, negative overlaps and zero overlap, Video tutorial
		+
	{\|border=1		{\|border=1
	\|'''Time'''		\|'''Time'''

@@ Line 13: / Line 13: @@
 |-
 |00:08
-|* About different types of orbitals
+|About different types of orbitals
 |-
 |00:11
-|* Rotation and resize of orbitals
+|Rotation and resize of orbitals
 |-
 |00:14
-|* Types of orbital overlaps.
+|Types of orbital overlaps.
 |-
@@ Line 509: / Line 509: @@
 |-
 |08:24
-|* End-on and side-wise overlaps
+|End-on and side-wise overlaps
 |-
 |08:27
-|* Rotation and resize of orbitals
+|Rotation and resize of orbitals
 |-
 |08:30
-|* Positive, negative and zero overlap.
+|Positive, negative and zero overlap.
 |-
@@ Line 525: / Line 525: @@
 |-
 |08:36
-|* Draw  's-p' end-on overlap with Hydrogen chloride(H-Cl) molecule
+|Draw  's-p' end-on overlap with Hydrogen chloride(H-Cl) molecule
 |-
 |08:40
-|* Draw side-wise overlap of 'dxy-dxy' orbitals
+|Draw side-wise overlap of 'dxy-dxy' orbitals
 |-
 |08:44
-|* Draw other negative and zero overlaps.
+|Draw other negative and zero overlaps.
 |-
 |08:48
-|* Hint: Rotate and resize the orbitals for proper overlap.
+|Hint: Rotate and resize the orbitals for proper overlap.
 |-

@@ Line 5: / Line 5: @@
 |-
 |00:00
-|Hello everyone.
+|Hello everyone.Welcome to this tutorial on '''Orbital Overlap''' in '''GChemPaint'''.
-−
-|-
-|00:01
-|Welcome to this tutorial on '''Orbital Overlap''' in '''GChemPaint'''.
 |-

@@ Line 19: / Line 19: @@
 |-
 |00:06
-|In this tutorial, we will learn
+|In this tutorial, we will learn-
 |-
@@ Line 31: / Line 31: @@
 |-
 |00:14
-|* Types of orbital overlaps
+|* Types of orbital overlaps.
 |-
 |00:17
-|Here I am using '''Ubuntu Linux''' OS version 12.04.
+|Here I am using '''Ubuntu Linux''' OS version 12.04,
 |-
@@ Line 211: / Line 211: @@
 |-
 |03:24
-|Click on 's' '''orbital''',
+|Click on 's' '''orbital'''.
 |-
@@ Line 267: / Line 267: @@
 |-
 |04:15
-|Click on the ''''p'''' '''orbital'''.
+|Click on the''' 'p' orbital'''.
 |-
@@ Line 303: / Line 303: @@
 |-
 |04:54
-|Click on '''Close''' button
+|Click on '''Close''' button.
 |-
 |04:57
-|I will repeat the process for the other orbital
+|I will repeat the process for the other orbital.
 |-
@@ Line 387: / Line 387: @@
 |-
 |06:16
-|Increase the '''Coefficient''' value to one
+|Increase the '''Coefficient''' value to one.
 |-
@@ Line 559: / Line 559: @@
 |-
 |09:04
-|It summarizes the Spoken Tutorial project
+|It summarizes the Spoken Tutorial project.
 |-
 |09:07
-|If you do not have good bandwidth, you can download and watch it
+|If you do not have good bandwidth, you can download and watch it.
 |-
 |09:12
-|The Spoken Tutorial Project Team Conducts workshops using spoken tutorials
+|The Spoken Tutorial Project Team: Conducts workshops using spoken tutorials.
 |-
 |09:16
-|Gives certificates to those who pass an on-line test
+|Gives certificates to those who pass an on-line test.
 |-
 |09:20
-|For more details, please write to '''contact@spoken-tutorial.org'''
+|For more details, please write to '''contact@spoken-tutorial.org'''.
 |-
 |09:27
-|Spoken Tutorial Project is a part of the Talk to a Teacher project
+|Spoken Tutorial Project is a part of the Talk to a Teacher project.
 |-
@@ Line 587: / Line 587: @@
 |-
 |09:37
-|More information on this Mission is available at this link '''http://spoken-tutorial.org/NMEICT-Intro'''
+|More information on this Mission is available at this link '''http://spoken-tutorial.org/NMEICT-Intro'''.
 |-
 |09:43
-|Drawings are contributed by '''Arathi'''
+|Drawings are contributed by '''Arathi'''.
 |-

@@ Line 509: / Line 509: @@
 |-
 |08:20
-|In this tutorial we have learnt,
+|In this tutorial we have learnt, * About different types of '''orbitals'''
- * About different types of '''orbitals'''
 |-