TY  - JOUR
AU  - Wu, C. H.
AU  - Jones, G. J.
TI  - Stability and structure of LinH molecules (n=3-6): Experimental and density functional study
JO  - The journal of chemical physics
VL  - 120
SN  - 0021-9606
CY  - Melville, NY
PB  - American Institute of Physics
M1  - PreJuSER-38263
SP  - 5128 - 5132
PY  - 2004
N1  - Record converted from VDB: 12.11.2012
AB  - The molecules Li(3)H and Li(4)H have been identified in mass-spectrometric measurements over solutions of hydrogen in liquid Li, and the gaseous equilibria of the reactions: Li(3)H+Li=Li(2)H+Li(2), Li(3)H+Li(2)=Li(2)H+Li(3), Li(3)H+Li=LiH+Li(3), Li(3)H+LiH=2Li(2)H, and Li(4)H+Li(2)=Li(3)H+Li(3) have been measured. Density functional calculations of Li(n)H molecules (n=3-6) provide structures, vibrational frequencies, ionization energies, and free energy functions of these molecules, and these are used to estimate the enthalpies of these reactions and the atomization energies of Li(3)H (119.4 kcal/mol) and Li(4)H (151.8 kcal/mol).
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
C6  - pmid:15267382
UR  - <Go to ISI:>//WOS:000220225000018
DO  - DOI:10.1063/1.1648305
UR  - https://juser.fz-juelich.de/record/38263
ER  -