CAS OpenIR  > 中科院上海应用物理研究所2011-2020年
[CTi72+]: Heptacoordinate Carbon Motif?
Gao, Y; Shao, N; Zhou, RL; Zhang, GL; Zeng, XC
AbstractA heptacoordinate carbon motif [CTi72+] is predicted to be a highly stable structure (with D-5h, point group symmetry) based on ab initio computation. This motif possesses a sizable HOMO-LUMO gap along with the lowest vibrational frequency greater than 95 cm(-1). An investigation of the motif-containing neutral species [CTi72+][BH4-](2) further confirms the chemical stability of the heptacoordinate carbon motif. In view of its structural stability, a quasi-one-dimensional (quasi-1D) nanowire [CTi7](n)[Ci(6)H(8)](n) is built from the carbon motifs. This organometallic nanowire is predicted to be metallic based on density functional theory computation.
Funding Project应物所项目组
WOS IDWOS:000307697300027
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GB/T 7714
Gao, Y,Shao, N,Zhou, RL,et al. [CTi72+]: Heptacoordinate Carbon Motif?[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2012,3(16).
APA Gao, Y,Shao, N,Zhou, RL,Zhang, GL,&Zeng, XC.(2012).[CTi72+]: Heptacoordinate Carbon Motif?.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,3(16).
MLA Gao, Y,et al."[CTi72+]: Heptacoordinate Carbon Motif?".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 3.16(2012).
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