"For example with Railjet, how come you wouldn’t want to pick your seats at the time of purchasing the train tickets? Why come back at a later date to now reserve seats, which might be taken?"
One issue people have been encountering recently is that you could buy tickets months in advance, but could not yet get reservations, as OBB is shuffling trains around, and didn't know yet what rolling stock it was going to use to operate a service. So you bought your ticket early to get the good price, and then would come back later to get reservations.
And then there are of course people who do not want to pay the extra fee for reservations, and just buy the ticket, and plan on looking for a free seat. It is rare for all seats on a train in for example Switzerland or Austria to be taken.