Nan-nan Liu

3 Questions 15 Answers 0 Followers

Questions related from Nan-nan Liu

Under which conditions could 2-center-3-electron half bond exist?

I performed calculations on metal-metal multiple bond. For the Cr-Cr system, one electron on σ*-anti-bonding, two on σ-bonding, one electron on π*-anti-bonding, two on π-bonding, the bond order...

18 January 2014 5,580 2 View

Is this an antibonding molecular orbital or non-bonding molecular orbital？

Figure 1 is the HOMO for (CpCr)2C8H8, Figure 2 is the HOMO-5, i think the HOMO is antibonding while the HOMO-5 is bonding, or they are both non-bonding?

09 September 2013 6,209 16 View

Triple bond longer than double-bond?

I calculated the triplet-singlet splitting of M-M multiple bond systems. I found that for some particular system, the bond length of double bond (triplet state) is close to the triple bond...

30 August 2013 2,577 3 View