ic6b02536_si_002.cif (17.69 kB)

A Polar Titanium–Organic Chain with a Very Large Second-Harmonic-Generation Response

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posted on 10.11.2016, 14:03 by Bongsu Kim, Seung-Jin Oh, Hongil Jo, Kang Min Ok
A noncentrosymmetric (NCS) titanium–organic compound, [H2N­(CH3)2]­TiO­{[NC5H3(CO2)2]­[NC5H4(CO2)]} (CAUMOF-18), has been synthesized by a solvothermal reaction. The aligned unidimensional polar chain structure of CAUMOF-18 consisting of corner-shared distorted TiO5N2 pentagonal bipyramids is attributed to strong hydrogen-bonding and π–π interactions. CAUMOF-18 reveals a very strong second-harmonic-generation efficiency of 400 times that of α-SiO2 and is phase-matchable (type I). Water-molecule-driven reversible centricity conversion and topotactic transformation to TiO2 microrods for CAUMOF-18 are also presented.