TY - JOUR
T1 - Hydrogen substituted by helium(+)
T2 - Theoretical investigations on the structures and stabilities of He2O2+, He2N 2+, and He2C2+
AU - Koch, Wolfram
AU - Frenking, Gernot
PY - 1986
Y1 - 1986
N2 - Theoretical studies of the structures and stabilities of the title compounds with respect to their dissociation reactions are reported at the MP4(SDTQ)/6-311G(2df,2pd)//MP2/6-31G(d,p) + zero point energy level of theory which shows that He2O2+ (1A1) and He2C2+ (3B1) exhibit short, strong bonds, while He2N2+ (2B1) and He2C2+ (1A1) are found to have comparatively long, weak bonds; He2C2+ (1A 1) is predicted to be stable towards dissociation, while the other three dicationic species are energetically unstable.
AB - Theoretical studies of the structures and stabilities of the title compounds with respect to their dissociation reactions are reported at the MP4(SDTQ)/6-311G(2df,2pd)//MP2/6-31G(d,p) + zero point energy level of theory which shows that He2O2+ (1A1) and He2C2+ (3B1) exhibit short, strong bonds, while He2N2+ (2B1) and He2C2+ (1A1) are found to have comparatively long, weak bonds; He2C2+ (1A 1) is predicted to be stable towards dissociation, while the other three dicationic species are energetically unstable.
UR - http://www.scopus.com/inward/record.url?scp=0041933871&partnerID=8YFLogxK
U2 - 10.1039/c39860001095
DO - 10.1039/c39860001095
M3 - 文章
AN - SCOPUS:0041933871
SN - 0022-4936
SP - 1095
EP - 1096
JO - Chemical Communications
JF - Chemical Communications
IS - 14
ER -