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@ARTICLE{Lisac:643554,
      author       = {Lisac, Katarina and Germann, Luzia S. and Arhangelskis,
                      Mihails and Etter, Martin and Dinnebier, Robert E. and
                      Friscic, Tomislav and Cinčić, Dominik},
      title        = {{M}echanochemical {C}is/{T}rans {I}somerization of a
                      {M}etal {C}entre {I}nvolving a {M}etal‐{O}rganic
                      {H}alogen‐{B}onded ({MOXB}) {C}ocrystal},
      journal      = {Angewandte Chemie},
      volume       = {137},
      number       = {47},
      issn         = {0932-2132},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {PUBDB-2026-00284},
      pages        = {e202517004},
      year         = {2025},
      abstract     = {Halogen bonding enables the mechanochemical ball-milling
                      isomerization of an otherwise persistent cis-coordinated
                      metal complex into the corresponding trans-isomer. The
                      importance of halogen bonding for enabling the cis→trans
                      isomerization of the metal centre is evidenced by real-time
                      in situ synchrotron powder X-ray diffraction monitoring of
                      the ball-milling experiments that showed the transient
                      appearance of a cis-geometry metal-organic halogen-bonded
                      (MOXB) cocrystal, which is rapidly replaced by the
                      corresponding trans-geometry one, with any excess,
                      non-halogen-bonded cis-geometry complex being retained
                      throughout the milling experiment. The importance of
                      cocrystallization for cis→trans isomerization is supported
                      by periodic density-functional theory calculations which
                      show that the process becomes notably more enthalpically
                      favourable in the presence of the halogen bond donor. The
                      presented work indicates that the formation of MOXB
                      cocrystals can open the door to new, metal-based responsive
                      behaviours, different from those of parent solid-state
                      coordination complexes.},
      cin          = {DOOR ; HAS-User / FS-PETRA-D},
      ddc          = {660},
      cid          = {I:(DE-H253)HAS-User-20120731 /
                      I:(DE-H253)FS-PETRA-D-20210408},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632) / 6G3 - PETRA III (DESY) (POF4-6G3)},
      pid          = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3},
      experiment   = {EXP:(DE-H253)P-P02.1-20150101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1002/ange.202517004},
      url          = {https://bib-pubdb1.desy.de/record/643554},
}