Publication Abstracts
Green 1984
, 1984: Theoretical study of magnesium dicarbide. Chem. Phys. Lett., 112, 29-32, doi:10.1016/0009-2614(84)87035-9.
The electronic structure of MgC2 has been studied within the self-consistent field approximation using expansion basis sets ranging up to triple zeta plus double polarization in size. The ground state is predicted to be an ionic, Mg+C2-, symmetric triangular structure. A metastable linear MgCC structure is predicted to lie about 20 kcal/mol higher in energy. Rotation constants and harmonic vibrational force constants are given. The possibility of observing MgC2 in astrophysical sources is briefly discussed.
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BibTeX Citation
@article{gr06700j, author={Green, S.}, title={Theoretical study of magnesium dicarbide}, year={1984}, journal={Chemical Physics Letters}, volume={112}, pages={29--32}, doi={10.1016/0009-2614(84)87035-9}, }
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RIS Citation
TY - JOUR ID - gr06700j AU - Green, S. PY - 1984 TI - Theoretical study of magnesium dicarbide JA - Chem. Phys. Lett. JO - Chemical Physics Letters VL - 112 SP - 29 EP - 32 DO - 10.1016/0009-2614(84)87035-9 ER -
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