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Stern","submitted_at":"2011-04-26T13:50:24Z","abstract_excerpt":"We investigated the magnetic and structural properties of the quasi-one dimensional 3$d^1$-quantum chain system TiPO$_4$ ($J \\sim$ 965 K) by magnetic susceptibility, heat capacity, ESR, x-ray diffraction, NMR measurements, and by density functional calculations. TiPO$_4$ undergoes two magnetostructural phase transitions, one at 111 K and the other at 74 K. Below 74 K, NMR detects two different $^{31}$P signals and the magnetic susceptibility vanishes, while DFT calculations evidence a bond alternation of the Ti...Ti distances within each chain. 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