Author/Authors :
Zhang، نويسنده , , Shao Wen and Zhang، نويسنده , , Cheng Gang and Yu، نويسنده , , Yong Tao and Mao، نويسنده , , Bing Zhi and He، نويسنده , , Fu Chu، نويسنده ,
Abstract :
The B3LYP method was employed to study the structures and vibrational frequencies of (CS2)2− at the 6-31+G(d) level of theory. We found five stable structures, including two ion–molecule complexes and three chemical compounds. The most stable structure has D2h symmetry and an energy ∼16.58 kcal/mol lower than the sum of the energies of CS2 and CS2−.
