Question: Molecular geometry optimization of methane and ethane was done using the program Abalone. Methane (before optimization): C-H bond length: 1.77376218 Bond angle: 109.47119855 Methane (after
Molecular geometry optimization of methane and ethane was done using the program Abalone.
Methane (before optimization):
C-H bond length: 1.77376218
Bond angle: 109.47119855
Methane (after optimization):
C-H bond length: 1.09
Bond angle: 109.47122067
Why did the value of the C-H bond of methane go from a messy number with many digits, to such an exact number with only three digits that are not zeros? Why didnt the angle change as well?
Ethane (after optimization):
Average C-H bond length: 1.09030685
C-C bond length: 1.53169302
H-C-H bond angle: 109.41768251
H-C-C bond angle: 109.52470540
Why did the value of the C-H bond of ethane NOT go from number with many digits, to such an exact number with only three digits that are not zeros?
Step by Step Solution
There are 3 Steps involved in it
Get step-by-step solutions from verified subject matter experts
