Sunday, June 2, 2019

molecular structure :: essays research papers

Molecular Structure LabObjectiveFor this experiment we took two different molecule and close to dissected them finding everything about them including bond length, bond angles, the charge on each atom, the non bonded distances between atoms and the energy difference between the highest and lowest molecular orbital. mental processThe procedure is to use HyperChem Lite to get the information needed from each molecule. But explained in full on page 16 and 17 in the lab manual. DataThe following data was found about CH4 (methane).The bond length from Carbon to every four henry atom was the same criterion that came to be about 1.113Not only are the lengths between all the Hydrogen atoms to the Carbon atoms the same so are the angles between the enthalpy atoms, all coming out to be about 109.47.The non-bonded distances between all the parts of the molecule are 1.818.The charge on the Carbon atom is -.143All of the hydrogen atoms have the same charge being .036The following data was co llected by HyperChem Lite for C2H5OH (ethanol).All the distances between bonded Carbon and Hydrogen atoms were 1.115.The distance of the bonded oxygen (3) to hydrogen (9) was .942.The distance between bonded Carbon (1) to Oxygen (3) was 1.40.Bond angle 5,1,4 was 109.8Bond angle 3,1,2 was 108.9Bond angle 6,2,8 was 107.9The smallest non-bonded distance was between atoms 9 (hydrogen) and 6 (hydrogen) it was 4.067.The largest distance between two atoms was from 6 to 8 1.802.The charge on the Carbon atoms were Carbon 1=.466, and Carbon 2=-.076Hydrogen charges were as follows Hydrogens 4,5=-.004, 6=.021, 7,8=.020, and the charge of hydrogen 9=.447And lastly the charge on the oxygen atom was -.891CalculationsFormulas used in the lab&61508E = hv = hc/&615481 ev = 1.6022E-19 Joules&61508E is the energy difference between the highest occupied and lowest unoccupied molecular orbital (HOMO and LUMO).h = Planks constant = 6.63E-34 Jsc = speed of light = 3.00E8 m/sformal charge = number of valen ce electrons ( of unshared electrons + of bonds)Volume of an ellipsoid is V = &61520/6 (a + 1)(b+1)(c+1) = x3A,b,and c are the skeletal lengths of the molecule. CH4&61508E = (-15.51ev)-(-24.49ev) = 8.98ev = 1.44E-18 J&61548 = hc/&61508E = (6.63E-34 Js)(3.00E8 m/s)/(1.44E-18 J) = 1.38E-7 m = 138nmThe wavelength of CH4 is 138nm and this resides in the ultra-violet spectrum and is not visible to the rude(a) eye. Formal charge of Carbon = 4-(0+4) = 0Formal Charge of Hydrogens = 1-(0+1) = 0

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