Inorganic Chemistry
Article
with octakis(3-(1-methylimidazolium)propyl) octasilsesquioxane
chloride. Appl. Clay Sci. 2019, 171, 6−13.
(14) Guo, Y.-L.; Wang, W.; Otaigbe, J. U. Biocompatibility of
synthetic poly(ester urethane)/polyhedral oligomeric silsesquioxane
matrices with embryonic stem cell proliferation and differentiation. J.
Tissue Eng. Regener. Med. 2010, 4 (7), 553−564.
(15) Chanmungkalakul, S.; Ervithayasuporn, V.; Boonkitti, P.;
Phuekphong, A.; Prigyai, N.; Kladsomboon, S.; Kiatkamjornwong,
S. Anion identification using silsesquioxane cages. Chem. Sci. 2018, 9
(40), 7753−7765.
(16) Chanmungkalakul, S.; Ervithayasuporn, V.; Hanprasit, S.;
Masik, M.; Prigyai, N.; Kiatkamjornwong, S. Silsesquioxane cages as
fluoride sensors. Chem. Commun. 2017, 53 (89), 12108−12111.
(17) Lorenz, V.; Gießmann, S.; Gun’ko, Y. K.; Fischer, A. K.; Gilje, J.
W.; Edelmann, F. T. Fully Metalated Silsesquioxanes: Building Blocks
for the Construction of Catalyst Models. Angew. Chem., Int. Ed. 2004,
43 (35), 4603−4606.
(18) Liu, H.; Kondo, S.-i.; Tanaka, R.; Oku, H.; Unno, M. A
spectroscopic investigation of incompletely condensed polyhedral
oligomeric silsesquioxanes (POSS-mono-ol, POSS-diol and POSS-
triol): Hydrogen-bonded interaction and host−guest complex. J.
Organomet. Chem. 2008, 693 (7), 1301−1308.
(19) Bassindale, A. R.; Liu, Z.; MacKinnon, I. A.; Taylor, P. G.;
Yang, Y.; Light, M. E.; Horton, P. N.; Hursthouse, M. B. A higher
yielding route for T8 silsesquioxane cages and X-ray crystal structures
of some novel spherosilicates. Dalton Trans. 2003, No. 14, 2945−
2949.
(20) Ye, M.; Wu, Y.; Zhang, W.; Yang, R. Synthesis of incompletely
caged silsesquioxane (T7-POSS) compounds via a versatile three-step
approach. Res. Chem. Intermed. 2018, 44 (7), 4277−4294.
(21) Kudo, T.; Machida, K.; Gordon, M. S. Exploring the
Mechanism for the Synthesis of Silsesquioxanes. 4. The Synthesis of
T8. J. Phys. Chem. A 2005, 109 (24), 5424−5429.
(22) Shchegolikhina, O.; Pozdniakova, Y.; Antipin, M.; Katsoulis, D.;
Auner, N.; Herrschaft, B. Synthesis and Structure of Sodium
Phenylsiloxanolate. Organometallics 2000, 19 (6), 1077−1082.
(23) Anisimov, A. A.; Kononevich, Y. N.; Zhemchugov, P. V.;
Milenin, S. A.; Korlyukov, A. A.; Tsareva, U. y. S.; Peregudov, A. S.;
Dorovatovskii, P. V.; Molodtsova, Y. A.; Takazova, R. U.;
Shchegolikhina, O. I.; Muzafarov, A. M. Synthesis and structure of
new polyhedral Ni, Na- and Cu, Na-metallasiloxanes with tolyl
substituent at the silicon atom. RSC Adv. 2016, 6 (26), 22052−22060.
(24) Pozdnyakova, Y. A.; Korlyukov, A. A.; Kononova, E. G.;
Lyssenko, K. A.; Peregudov, A. S.; Shchegolikhina, O. I. Cyclo-
tetrasiloxanetetrols with Methyl Groups at Silicon: Isomers all-cis- and
cis-trans-cis-[MeSi(O)OH]4. Inorg. Chem. 2010, 49 (2), 572−577.
(25) Hanprasit, S.; Tungkijanansin, N.; Prompawilai, A.;
Eangpayung, S.; Ervithayasuporn, V. Synthesis and isolation of non-
chromophore cage-rearranged silsesquioxanes from base-catalyzed
reactions. Dalton Trans. 2016, 45 (41), 16117−16120.
(31) Chen, Y.; Schneider, K. S.; Banaszak Holl, M. M.; Orr, B. G.
Simulated scanning tunneling microscopy images of three-dimen-
sional clusters: H8Si8O12 on Si(100)-2 × 1. Phys. Rev. B: Condens.
Matter Mater. Phys. 2004, 70 (8), No. 085402.
(32) Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. A consistent and
accurate ab initio parametrization of density functional dispersion
correction (DFT-D) for the 94 elements H-Pu. J. Chem. Phys. 2010,
132 (15), 154104.
(33) Grimme, S.; Ehrlich, S.; Goerigk, L. Effect of the damping
function in dispersion corrected density functional theory. J. Comput.
Chem. 2011, 32 (7), 1456−1465.
(34) Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-
Salvetti correlation-energy formula into a functional of the electron
density. Phys. Rev. B: Condens. Matter Mater. Phys. 1988, 37 (2), 785−
789.
(35) Li, H.-C.; Lee, C.-Y.; McCabe, C.; Striolo, A.; Neurock, M. Ab
Initio Analysis of the Structural Properties of Alkyl-Substituted
Polyhedral Oligomeric Silsesquioxanes. J. Phys. Chem. A 2007, 111
(18), 3577−3584.
(36) Marcolli, C.; Calzaferri, G. Monosubstituted octasilasesquiox-
anes. Appl. Organomet. Chem. 1999, 13 (4), 213−226.
(37) McCabe, C.; Glotzer, S. C.; Kieffer, J.; Neurock, M.;
Cummings, P. T. Multiscale Simulation of the Synthesis, Assembly
and Properties of Nanostructured Organic/Inorganic Hybrid
Materials. J. Comput. Theor. Nanosci. 2004, 1 (3), 265−279.
(38) Park, S. S.; Xiao, C.; Hagelberg, F.; Hossain, D.; Pittman, C. U.;
Saebo, S. Endohedral and Exohedral Complexes of Polyhedral Double
Four-Membered-Ring (D4R) Units with Atomic and Ionic Impurities.
J. Phys. Chem. A 2004, 108 (51), 11260−11272.
(39) Shen, J.; Cheng, W.-D.; Wu, D.-S.; Li, X.-D.; Lan, Y.-Z.; Zhang,
H.; Gong, Y.-J.; Li, F.-F.; Huang, S.-P. Modeling of configurations and
third-order nonlinear optical properties of methyl silsesquioxanes. J.
Chem. Phys. 2005, 122 (20), 204709.
(40) Striolo, A.; McCabe, C.; Cummings, P. T. Thermodynamic and
Transport Properties of Polyhedral Oligomeric Sislesquioxanes in
Poly(dimethylsiloxane). J. Phys. Chem. B 2005, 109 (30), 14300−
14307.
(41) Vosko, S. H.; Wilk, L.; Nusair, M. Accurate spin-dependent
electron liquid correlation energies for local spin density calculations:
a critical analysis. Can. J. Phys. 1980, 58 (8), 1200−1211.
(42) Haiduc, I.; Edelmann, F. T. Supramolecular Organometallic
Chemistry; John Wiley & Sons, 2008.
(43) Ervithayasuporn, V.; Chimjarn, S. Synthesis and Isolation of
Methacrylate- and Acrylate-Functionalized Polyhedral Oligomeric
Silsesquioxanes (T8, T10, and T12) and Characterization of the
Relationship between Their Chemical Structures and Physical
Properties. Inorg. Chem. 2013, 52 (22), 13108−13112.
(44) Halls, M. D.; Tripp, C. P.; Bernhard Schlegel, H. Structure and
infrared (IR) assignments for the OLED material: N,N′-diphenyl-
N,N′-bis(1-naphthyl)-1,1′-biphenyl-4,4″-diamine (NPB). Phys. Chem.
Chem. Phys. 2001, 3 (11), 2131−2136.
́
́
́
(26) García, C.; Gomez, M.; Gomez-Sal, P.; Hernandez, J. M.
Monocyclopentadienyl(niobium) Compounds with Imido and
Silsesquioxane Ligands: Synthetic, Structural and Reactivity Studies.
Eur. J. Inorg. Chem. 2009, 2009 (29−30), 4401−4415.
(45) Sheldrick, G. SHELXT - Integrated space-group and crystal-
structure determination. Acta Crystallogr., Sect. A: Found. Adv. 2015,
71 (1), 3−8.
(27) Anderson, S. E.; Bodzin, D. J.; Haddad, T. S.; Boatz, J. A.;
Mabry, J. M.; Mitchell, C.; Bowers, M. T. Structural Investigation of
Encapsulated Fluoride in Polyhedral Oligomeric Silsesquioxane Cages
Using Ion Mobility Mass Spectrometry and Molecular Mechanics.
Chem. Mater. 2008, 20 (13), 4299−4309.
́
̈
(28) Azinovic, D.; Cai, J.; Eggs, C.; Konig, H.; Marsmann, H. C.;
̌
Veprek, S. Photoluminescence from silsesquioxanes R8(SiO1.5)8. J.
Lumin. 2002, 97 (1), 40−50.
(29) Bahrami, M.; Hashemi, H.; Ma, X.; Kieffer, J.; Laine, R. M.
Why do the [PhSiO1.5]8,10,12 cages self-brominate primarily in the
ortho position? Modeling reveals a strong cage influence on the
mechanism. Phys. Chem. Chem. Phys. 2014, 16 (47), 25760−25764.
(30) Becke, A. D. Density-functional exchange-energy approxima-
tion with correct asymptotic behavior. Phys. Rev. A: At., Mol., Opt.
Phys. 1988, 38 (6), 3098−3100.
H
Inorg. Chem. XXXX, XXX, XXX−XXX