Wednesday, March 27, 2019

molecular structure :: essays research papers

Molecular Structure LabObjectiveFor this experiment we took two different molecule and virtu in ally dissected them finding everything about them including stick with length, bond angles, the bitch on each pinpoint, the non bonded infinites between atoms and the energy contravention between the highest and lowest molecular(a) orbital.ProcedureThe procedure is to use HyperChem fat-free to get the information needed from each molecule. But explained in blanket(a) on page 16 and 17 in the lab manual. infoThe following selective information was found about CH4 (methane).The bond length from vitamin C to all four total heat atom was the same measurement that came to be about 1.113Not only are the lengths between all the hydrogen atoms to the nose candy atoms the same so are the angles between the hydrogen atoms, all coming out to be about 109.47.The non-bonded distances between all the separate of the molecule are 1.818.The charge on the Carbon atom is -.143 all told of the hydrogen atoms have the same charge being .036The following data was collected 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 = move of light = 3.00E8 m/sformal charge = number of valency 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 unmistakable to the naked eye. Formal charge of Carbon = 4-(0+4) = 0Formal weight down of Hydrogens = 1-(0+1) = 0

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