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

PoojaMoolya at 10:36, 27 February 2017

2017-02-27T10:36:33Z

Jyotisolanki at 10:49, 10 October 2014

2014-10-10T10:49:20Z

Jyotisolanki at 12:05, 12 September 2014

2014-09-12T12:05:18Z

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Jyotisolanki at 07:40, 12 September 2014

2014-09-12T07:40:35Z

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Jyotisolanki: Created page with "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,..."

2014-09-12T05:25:04Z

Created page with "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,..."

New page

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
|'''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

|-
|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'''.

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

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

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

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

|-
|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.

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

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

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

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

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

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

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

|-
|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.

|-
|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.

|-
|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'''.

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

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

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

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

|-
|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.

|-
|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'''.

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

|-
|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.

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

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

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

|-
|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.

|-
|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.

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

|-
|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.

|-
|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'''.

|-
|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'''

|-
|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.

|}

@@ Line 1: / Line 1: @@
 {|border=1
 |'''Time'''
@@ Line 11: / Line 5: @@
 |-
 |00:00
-|નમસ્તે મિત્રો,
+|નમસ્તે મિત્રો, '''GChemPaint'''.  માં  '''Orbital Overlap'''  પરનાં આ ટ્યુટોરીયલમાં સ્વાગત છે.
-−
-|-
-|00:01
-| '''GChemPaint'''.  માં  '''Orbital Overlap'''  પરનાં આ ટ્યુટોરીયલમાં સ્વાગત છે.
 |-
@@ Line 23: / Line 13: @@
 |-
 |00:08
-|* વિવિધ પ્રકારના ઓર્બીટલ  વિષે
+|વિવિધ પ્રકારના ઓર્બીટલ  વિષે
 |-
 |00:11
-|*  ઓર્બીટલ નું પરિભ્રમણ અને રીસાઈઝ કરતા
+|ઓર્બીટલ નું પરિભ્રમણ અને રીસાઈઝ કરતા
 |-
 |00:14
-|* ઓર્બીટલ ઓવરલેપ્સ ના પ્રકાર.
+|ઓર્બીટલ ઓવરલેપ્સ ના પ્રકાર.
 |-
@@ Line 175: / Line 165: @@
 |-
 |02:55
-| કીબોર્ડ પર  '''''''''H''''   દબાઓ.
+| કીબોર્ડ પર  '''H'''   દબાઓ.
 |-
@@ Line 240: / Line 230: @@
 |03:49
 | ખાતરી કરો કે બોન્ડ ની લંબાઈ 200  શુધી છે.
 |-
@@ Line 316: / Line 305: @@
 |-
 |05:04
-|   ''''dz^2' orbital''' નો ઉપયોગ કરીને '''''' 'd-d' end-on overlap '''''''''' બનાવો.
+| ''''dz^2' orbital''' નો ઉપયોગ કરીને '''''' 'd-d' end-on overlap '''''''''' બનાવો.
 |-
@@ Line 360: / Line 349: @@
 |-
 |05:49
-| ''''''''''d-d' end-on overlap.'''''''' ની નોંધ લો.
+| 'd-d' end-on overlap. ની નોંધ લો.
 |-
@@ Line 404: / Line 393: @@
 |-
 |06:32
-| ''''''''p-p' side-wise overlap.'''''''' ની નોધ લો.
+|'p-p' side-wise overlap. ની નોધ લો.
 |-
@@ Line 446: / Line 435: @@
 | ''''p' orbital''' રેડીઓ બટન પર ક્લિક કરો પછી બોન્ડના કિનારી  પર ક્લિક કરો.
 |-
 |07:17
@@ Line 521: / Line 509: @@
 |-
 |08:24
-|* '''End-on''' અને  '''side-wise overlaps'''
+|'''End-on''' અને  '''side-wise overlaps'''
 |-
 |08:27
-|* '''Rotation'''  અને  '''orbitals''' ને રિસાઈઝ કરતા
+| '''Rotation'''  અને  '''orbitals''' ને રિસાઈઝ કરતા
 |-
 |08:30
-|* '''Positive''', '''negative''' અને  '''zero overlap'''.
+| '''Positive''', '''negative''' અને  '''zero overlap'''.
 |-
@@ Line 537: / Line 525: @@
 |-
 |08:36
-|*  '''Hydrogen chloride''' (H-Cl) (હાઇડ્રોજન ક્લોરાઇડ)  અણુ સાથે  ''''s-p' end-on overlap'''  બનાવો.
+| '''Hydrogen chloride''' (H-Cl) (હાઇડ્રોજન ક્લોરાઇડ)  અણુ સાથે  ''''s-p' end-on overlap'''  બનાવો.
 |-
 |08:40
-|*  ''''dxy-dxy' orbitals''' નું '''side-wise overlap''' બનાવો.
+| ''''dxy-dxy' orbitals''' નું '''side-wise overlap''' બનાવો.
 |-
 |08:44
-|*  અન્ય  '''negative અને  zero overlaps''' બનાવો.
+| અન્ય  '''negative અને  zero overlaps''' બનાવો.
 |-
 |08:48
-|* સંકેત:યોગ્ય ઓવરલેપ માટે ઓર્બીટલસ ને  રોટેટ અને રિસાઈઝ કરો.
+| સંકેત:યોગ્ય ઓવરલેપ માટે ઓર્બીટલસ ને  રોટેટ અને રિસાઈઝ કરો.
 |-

@@ Line 43: / Line 43: @@
 |-
 |00:26
-| આ ટ્યુટોરીયલનાં અનુસરણ માટે તમે પરિચિત હોવા જોઈએ ,
+| આ ટ્યુટોરીયલનાં અનુસરણ માટે તમે પરિચિત હોવા જોઈએ
 |-
@@ Line 268: / Line 268: @@
 |-
 |04:15
-|Click on the ''''''''p '''''' ઓર્બીટલ પર ક્લિક કરો.
+| ''''''''p '''''' ઓર્બીટલ પર ક્લિક કરો.
 |-
@@ Line 276: / Line 276: @@
 |-
 |04:21
-|તેજ રીતે પ્રક્રિયા ને ફરીથી કરો અને e '''' p '''''ઓર્બીટલ '-90'(minus90) શુધી ફેરવો.
+|તેજ રીતે પ્રક્રિયા ને ફરીથી કરો અને  '''' p '''''ઓર્બીટલ '-90' (minus90) શુધી ફેરવો.
 |-
@@ Line 376: / Line 376: @@
 |-
 |06:05
-| ખાતરી કરો કે બોન્ડ ની લંબાઈ 90  છે.
+| ખાતરી કરો કે બોન્ડ ની લંબાઈ '''90'''  છે.
 |-
@@ Line 432: / Line 432: @@
 |-
 |07:02
-|ખાતરી કરો કે બોન્ડ ની લંબાઈ 90  છે.
+| ખાતરી કરો કે બોન્ડ ની લંબાઈ '''90'''  છે.
 |-
@@ Line 537: / Line 537: @@
 |-
 |08:36
-|*  '''Hydrogen chloride''' (H-Cl) (હાઇડ્રોજન ક્લોરાઇડ)  અનુ સાથે  ''''s-p' end-on overlap'''  બનાવો.
+|*  '''Hydrogen chloride''' (H-Cl) (હાઇડ્રોજન ક્લોરાઇડ)  અણુ સાથે  ''''s-p' end-on overlap'''  બનાવો.
 |-
 |08:40
-|* Draw  of ''''dxy-dxy' orbitals''' નું '''side-wise overlap''' બનાવો.
+|*  ''''dxy-dxy' orbitals''' નું '''side-wise overlap''' બનાવો.
 |-