4 Conclusion
The results obtained in this study shed light on the quantum behavior of the shared
proton between two identical amines. The major features of the shared proton’s
nature includes: (1) The excited vibrational states do exhibit quantum confinement
and (2) The ground vibrational state energy level upon enhancement of the proton
transfer barrier. These two quantum effects, which happened to be innate for the
shared proton clearly indicates that proton is a quantum object. Furthermore, the
same trend was observed in the two-dimensional treatment (z and R coordinates).
The combination of these two effects do account for the observed bathochromic
shift in the fundamental transitions from ammonia to trimethylamine. IR spectra
were computed and spectral features associated with the bathochromic shift is
proposed for future experimental realizations.
Acknowledgments This work was financially supported by the Academia Sinica and the
National Science Council (NSC101-2113-M-001-023-MY3) of Taiwan. Computational resources
are supported in part by the National Center for High Performance Computing. We wish to thank
contributions from Linda Shen and Tzu-Chien Wang at the early stage of this project. Fruitful
discussions with Prof. Yonggang Yang and Prof. Masanori Tachikawa are also acknowledged.
Fig. 6 Stick spectra of proton bound ammonia and other homologs. The gap between the
fundamental band and |1, 1> combination band agrees with the one-dimensional treatment
88
J.A. Tan et al.
The results obtained in this study shed light on the quantum behavior of the shared
proton between two identical amines. The major features of the shared proton’s
nature includes: (1) The excited vibrational states do exhibit quantum confinement
and (2) The ground vibrational state energy level upon enhancement of the proton
transfer barrier. These two quantum effects, which happened to be innate for the
shared proton clearly indicates that proton is a quantum object. Furthermore, the
same trend was observed in the two-dimensional treatment (z and R coordinates).
The combination of these two effects do account for the observed bathochromic
shift in the fundamental transitions from ammonia to trimethylamine. IR spectra
were computed and spectral features associated with the bathochromic shift is
proposed for future experimental realizations.
Acknowledgments This work was financially supported by the Academia Sinica and the
National Science Council (NSC101-2113-M-001-023-MY3) of Taiwan. Computational resources
are supported in part by the National Center for High Performance Computing. We wish to thank
contributions from Linda Shen and Tzu-Chien Wang at the early stage of this project. Fruitful
discussions with Prof. Yonggang Yang and Prof. Masanori Tachikawa are also acknowledged.
Fig. 6 Stick spectra of proton bound ammonia and other homologs. The gap between the
fundamental band and |1, 1> combination band agrees with the one-dimensional treatment
88
J.A. Tan et al.