Question

The HF/6-31G(d) harmonic vibrational frequency for Cl2 is 600 cm-7. What is its vibrational energy (including zero-point vibrational energy) at 298 K? Select one: O O a. 4.01 kJ/mol b. 2.48 kJ/mol c. 0.42 kJ/mol d. 3.59 kJ/mol

Please explain you solution

Answer 1

ANSWER Harmonic vibrational frearency for U is 600 con! : wore = 600 cm i vibrational fredvency in Hz or 5' is Wose a 600 ml x3x10 cm/3 = 1.8x103 5 & Wose = 1.8x103 Hz vibrational eneroy Era h Wose (V+ / -) Jude Where ha plank constant - 6-625 x1034 Jos va vibrational quantum number. = at zero point v=o :. Es = 6625417345.5 x 1.84103 5' (0+4) - 5.96410 1 Jule Hence, vibrational eneroy for one modecale of als 5.9641521 Jule. so vibrational energy for ovogadro number (N) of de is (5.964102 x 6.023x183) Jule.

Jule = 3591.21 = 3.59 kJ for a So; vibrational enef energy is 3.59 kJ/mol option ® 3.59 kJ/mol is correct.