Quantum dynamics of OCS molecule doped in superfluid 4He nanodroplet

TL;DR

This study models the quantum rotational and vibrational behavior of OCS molecules in superfluid helium nanodroplets, explaining experimental shifts using Macro-Orbital theory and other factors.

Contribution

It introduces a theoretical framework combining Macro-Orbital theory to explain complex experimental observations of OCS in superfluid helium clusters.

Findings

Monotonic decrease and oscillations in rotational constant B with cluster size N.

Blue and red vibrational frequency shifts observed at specific N values.

Theoretical explanation aligns with experimental data.

Abstract

In this paper, we explain the change of rotational constant (B) and vibrational frequency shift of 4HeN-OCS clusters with N by using important inferences of Macro-Orbital theory of superfluidity and several other factors that can change B and vibrational frequency. Consequently, this helps us in understanding the extra ordinary experimental observations that (i) B decreases monotonically from N = 1 to 9 and rises thereafter to follow broad oscillations with maxima at N = 24, 47 and minima at 36 and 62 and (ii) vibrational frequency shift has blue shift for N ~ 1 - 6, with steady red shift thereafter having a change in slope at N ~ 17.