MEAN AMPLITUDES OF VIBRATION OF COMPARATIVELY LARGE MOLECULES .3. ISOTOPIC ANTHRACENES

A harmonic-vibration analysis for the in-plane vibrations of anthracene was performed. As a part of this study a complete set of symmetry coordinates without redundants was constructed for the appropriate model of D2h symmetry. The derived in-plane force constants in terms of these symmetry coordinates are given. They were used to compute mean amplitudes of vibration in anthracene, anthracene-d10, and three selected partially deuterated anthracenes: α-anthracene-1,4,5,8-d4, β-anthracene-2,3,6,7-d4, and meso-anthracene-9,10-d2. The paper also includes mean amplitudes of vibration for naphthalene and naphthalene-d8 from revised calculations.