**Author details**

Ming-Chung Yang1 and Ming-Der Su1,2\*

\*Address all correspondence to: midesu@mail.ncyu.edu.tw

1 Department of Applied Chemistry, National Chiayi University, Chiayi, Taiwan

2 Department of Medicinal and Applied Chemistry, Kaohsiung Medical University, Kaohsiung, Taiwan

[9] Simoes JAM, Beauchamp JL. Transition metal-hydrogen and metal-carbon bond strengths: The keys to catalysis. Chemical Reviews. 1990;**90**:629-688. DOI: 10.1021/cr00102a004 [10] Yang MC, Sharma AK, Sameera WMC, Morokuma K, Su MD. A theoretical study of

How Important is Metal-Carbon Back-Bonding for the Stability of Fullerene-Transition Metal Complexes?...

[11] Hopkinson MN, Richter C, Schedler M, Glorius F. An overview of N-heterocyclic car-

[12] Balch AL, Olmstead MM. Reactions of transition metal complexes with fullerenes (C60, C70, etc.) and related materials. Chemical Reviews. 1998;**98**:2123-2165. DOI: 10.1021/cr960040e

[13] Yang H, Beavers CM, Wang Z, Jiang A, Liu Z, Jin H, Mercado BQ, Olmstead MM, Balch AL. Isolation of a small carbon nanotube: The surprising appearance of D5h(1)-C90. Angewandte Chemie International Edition. 2009;**48**:1-6. DOI: 10.1002/anie.200906023 [14] Yang H, Jin H, Che Y, Hong B, Liu Z, Gharamaleki JA, Olmstead MM, Balch AL. Isolation of four isomers of C96 and crystallographic characterization of nanotubular D3d(3)-C96

[15] Fowler PW, Manolopoulos DE. An Atlas of Fullerenes. Oxford: Clarendon; 1995. DOI:

[16] Hagebaum-Reignier D, Girardi R, Carissan Y, Humbel S. Hückel theory for Lewis structures: Hückel–Lewis Configuration Interaction (HL-CI). Journal of Molecular Structure:

[17] Zhao Y, Truhlar DG. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: Two new functionals and systematic testing of four M06-class functionals and 12 other functionals. Theoretical Chemistry Accounts. 2008;**120**:215-241. DOI: 10.1007/

[18] Dunning TH, Hay PJ. In: Schaefer HF, editor. Modern Theoretical Chemistry. Vol. 3.

[19] Hay PJ, Wadt WR. Ab initio effective core potentials for molecular calculations— Potentials for the transition-metal atoms Sc to Hg. The Journal of Chemical Physics.

[20] Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, et al. Wallingford, CT: Gaussian, Inc.; 2013

[21] Sameera WMC, Hatanaka M, Kitanosono T, Kobayashi S, Morokuma K. The mechanism of iron(II)-catalyzed asymmetric Mukaiyama aldol reaction in aqueous media: Density functional theory and artificial force-induced reaction study. Journal of the American

THEOCHEM. 2007;**817**:99-109. DOI: 10.1016/j.theochem.2007.04.026

1985;**82**:270-283. DOI: http://dx.doi.org/10.1063/1.448799

Chemical Society. 2015;**137**:11085-11094. DOI: 10.1021/jacs.5b05835

M(M = Pd, Pt) to Li+

(181)-C96. Chemistry—A European Journal.

@C60. The Journal of

123

http://dx.doi.org/10.5772/intechopen.70068

M(M = Rh, Ir) and L<sup>2</sup>

benes. Nature. 2014;**510**:485-496. DOI: 10.1038/nature13384

and the somewhat flat-sided sphere C<sup>2</sup>

http://dx.doi.org/10.1080/10641229608001575

2012;**18**:2792-2796. DOI: 10.1002/chem.201103852

Physical Chemistry A. 2017;**121**:2665-2673. DOI: 10.1021/acs.jpca.7b01086

addition reactions of L4

s00214-007-0310-x

New York: Plenum; 1977. pp. 1-28
