Hirshfeld surface analysis of new organotin(IV)-phosphoramide complexes

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Publikace nespadá pod Lékařskou fakultu, ale pod Přírodovědeckou fakultu. Oficiální stránka publikace je na webu muni.cz.
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POURAYOUBI Mehrdad BAYRAQ Samad Shoghpour TARAHHOMI Atekeh NEČAS Marek FEJFAROVA Karla DUŠEK Michal

Rok publikování 2014
Druh Článek v odborném periodiku
Časopis / Zdroj Journal of Organometallic Chemistry
Fakulta / Pracoviště MU

Přírodovědecká fakulta

Citace
Doi http://dx.doi.org/10.1016/j.jorganchem.2013.10.009
Obor Anorganická chemie
Klíčová slova Organotin(IV)-phosphoramide complexes; Hirshfeld surfaces; Two-dimensional fingerprint plots; Crystal packing
Popis Hirshfeld surfaces and two-dimensional fingerprint plots are used to study short intermolecular contacts in new organotin(IV)-phosphoramide complexes, (L-1)(2)Cl2Me2Sn (1), (L-2) Cl2Me2Sn (2) and (L-3)(2)Cl2Me2Sn (3) [L-1 = (C5H9NH)(3)PO, L-2 = [(CH3)(3)CNH][C6H5CH2N(CH3)](2)PO and L-3 = (3-F-C6H4C(O)NH)(N(CH3)C6H11)(2)PO]. Twodimensional fingerprint plots of 1 and 2 show pairs of spikes attributed to the intermolecular H...Cl contacts including N-H...Cl hydrogen bonds. Two spikes found in 3 are much shorter comparing with 1 and 2 due to absence of the intermolecular N-H...Cl hydrogen bond and lower contribution of C-H...Cl contacts. In the ligand L-3 the presence of N-H...O=P hydrogen bond is reflected as a deep-red area of Hirshfeld surfaces. Moreover, in fingerprint plot of L-3 two intense spikes are observed related to the intermolecular H/O contacts including N-H...O=P hydrogen bond. The more shallow red spots on the Hirshfeld surface of 3 with respect to L-3 are caused by absence of N-H...O hydrogen bond and the lower contribution of H...O contacts.
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