International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
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DFT vibrationally averaged isotopic dipole moments of propane, propyne and wa...Antônio Arapiraca
Post Born–Oppenheimer isotopic effects and zero-point vibrational averages were previously inbodied in calculations of the dipole moments of isotopic species of some apolar molecules within the HF-SCF approximation (Arapiraca, 2011) [27]. Many other molecules, however, demand the inclusion of electronic correlation for this goal. Here, DFT calculations are reported for the isotopic effects on dipole moments of molecules with increasing permanent dipole moments, namely propane ( 0.1 debye), propyne (0.7 debye) and water (1.9 debye). The results account well for the experimental values and isotopic trends of the dipole moments of these molecules. 2014 Elsevier
A fully interactive version of this presentation with functioning navigation buttons can be found by clicking on the link below:
https://connect.csupomona.edu/eliminations
DFT vibrationally averaged isotopic dipole moments of propane, propyne and wa...Antônio Arapiraca
Post Born–Oppenheimer isotopic effects and zero-point vibrational averages were previously inbodied in calculations of the dipole moments of isotopic species of some apolar molecules within the HF-SCF approximation (Arapiraca, 2011) [27]. Many other molecules, however, demand the inclusion of electronic correlation for this goal. Here, DFT calculations are reported for the isotopic effects on dipole moments of molecules with increasing permanent dipole moments, namely propane ( 0.1 debye), propyne (0.7 debye) and water (1.9 debye). The results account well for the experimental values and isotopic trends of the dipole moments of these molecules. 2014 Elsevier
1. SPM Corner
The information below is regarding alkene Y:
Carbon 85.7%
Hydrogen 14.3%
Relative molecular mass = 42
Relative atomic mass of H = 1 and C = 12
Based on the information of the alkene Y:
(i) Determine the molecular formula
(ii) Draw the structural formula
(iii) Name the alkene
(iv) Write the general formula for its homologous series.
(i) Table 2.2 shows the results of a test to differentiate between alkene Y and propane. [8 marks]
Procedure Observation
Bromine water is added to alkene Y Brown colour is decolourized
Bromine water is added to propane Brown colour remains
Table 2.2
Explain why there is difference in these observations. [4 marks]
ANSWER
(i)
Element Carbon Hydrogen
Number of moles 85.7 14.3
12 = 7.083 1 = 14.1
Simplest ratio 7.083 14.1
:
7.083 7.083
1:2
Empirical formula = CH2
Molecular formula of alkene Y : (CH2)n
Given relative molecular mass = 42
Hence 12n + 2n = 42
14n = 42
n=3
molecular formula of alkene Y is C3H6
(ii)
(iii) Propene
(iv) CnH2n
(i) 1. Alkene Y is an unsaturated hydrocarbon with a carbon-carbon double bond.
2. When bromine water is added to alkene Y, brown colour is decolourised because
addition reaction (or bromination ) occurs.
3. Propane is a saturated hydrocarbon with carbon – carbon single bond.
4. No reaction occurs when bromine is added.
![SPM Corner
The information below is regarding alkene Y:
Carbon 85.7%
Hydrogen 14.3%
Relative molecular mass = 42
Relative atomic mass of H = 1 and C = 12
Based on the information of the alkene Y:
(i) Determine the molecular formula
(ii) Draw the structural formula
(iii) Name the alkene
(iv) Write the general formula for its homologous series.
(i) Table 2.2 shows the results of a test to differentiate between alkene Y and propane. [8 marks]
Procedure Observation
Bromine water is added to alkene Y Brown colour is decolourized
Bromine water is added to propane Brown colour remains
Table 2.2
Explain why there is difference in these observations. [4 marks]
ANSWER
(i)
Element Carbon Hydrogen
Number of moles 85.7 14.3
12 = 7.083 1 = 14.1
Simplest ratio 7.083 14.1
:
7.083 7.083
1:2
Empirical formula = CH2
Molecular formula of alkene Y : (CH2)n
Given relative molecular mass = 42
Hence 12n + 2n = 42
14n = 42
n=3
molecular formula of alkene Y is C3H6
(ii)
(iii) Propene
(iv) CnH2n
(i) 1. Alkene Y is an unsaturated hydrocarbon with a carbon-carbon double bond.
2. When bromine water is added to alkene Y, brown colour is decolourised because
addition reaction (or bromination ) occurs.
3. Propane is a saturated hydrocarbon with carbon – carbon single bond.
4. No reaction occurs when bromine is added.](https://image.slidesharecdn.com/spmcorneralkenes-100331090041-phpapp01/85/S-P-M-Corner-Alkenes-1-320.jpg)
