@Article{Radiatphyschem_56_539, author = {T. Berclaz and G. Bernardinelli and M. Geoffroy and G. Rao and Z. Tancic}, title = {{EPR/ENDOR study of an X-irradiated single crystal of 1-triphenylphosphoranylidene-2-propanone : the role of hydrogen bonds in the trapping of radiogenic radical}}, journal= {Radiat. phys. chem.}, ISSN = {0969-806X}, volume= {56}, number= {5-6}, pages = {539-545}, url = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TVT-3Y9YKSF-4&_user=779890&_handle=W-WA-A-A-AZ-MsSAYZW-UUA-AUZWWWEBCV-WUYUZUZBU-AZ-U&_fmt=summary&_coverDate=11%2F12%2F1999&_rdoc=4&_orig=browse&_srch=%23toc%235543%231999%23999439994%23153590!&_cdi=5543&view=c&_acct=C000043220&_version=1&_urlVersion=0&_userid=779890&md5=636854ba95bc020499b0ed4bd00d9a37}, eprint= {http://www.unige.ch/sciences/chifi/publis/refs_pdf/ref00369.pdf}, doi= {10.1016/S0969-806X(99)00295-9}, abstract = {{As shown from the crystal structure, the oxygen atom of Ph$_3$P=CH---C(O)CH$_3$ forms both intra and intermolecular hydrogen bonds. X-irradiation of this compounds produces a room-temperature-stable radical which was studied by single crystal EPR/ENDOR spectroscopy. Comparison of the experimental hyperfine couplings with those obtained from ab initio calculations shows that the radical cation Ph$_3$P$^+$---CH=C(OH)CH$_2$ is formed under radiolysis. The principal directions of the hyperfine tensors indicate that, in this process, some of the hydrogen bonds are broken and that the radical undergoes a drastic reorientation around the Ph$_3$P---C bond.}}, year = {1999} }