2026-10-11T16:51:17Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33721831 2026-09-14T08:15:44Z portal_1197 item_type_3 month_year_09_2026

Data for Comprehensive vibrational spectroscopic investigation of trans,trans,trans-[Pt(N3)2(OH)2(py)2], a Pt(IV) diazido anticancer prodrug candidate Robbin Vernooij (24870259) Tanmaya Joshi (1801927) Evyenia Shaili (2815306) Manja Kubeil (1782781) Dominique R. T. Appadoo (20391917) Ekaterina I. Izgorodina (1538968) Bim Graham (397733) P. J. Sadler (24740740) Bayden R. Wood (695392) Leone Spiccia (1405969) Antineoplastic agents Cancer -- Chemotherapy Migrated from ePrints We report a detailed study of a promising photoactivatable metal-based anticancer prodrug candidate, trans,trans,trans-[Pt(N3)2(OH)2(py)2] (C1; py = pyridine), using vibrational spectroscopic techniques. Attenuated total reflection Fourier transform infrared (ATR-FTIR), Raman, and synchrotron radiation far-IR (SR-FIR) spectroscopies were applied to obtain highly resolved ligand and Pt-ligand vibrations for C1 and its precursors (trans-[Pt(N3)2(py)2] (C2) and trans-[PtCl2(py)2] (C3)). Distinct IR- and Raman-active vibrational modes were assigned with the aid of density functional theory calculations, and trends in the frequency shifts as a function of changing Pt coordination environment were determined and detailed for the first time. The data provide the ligand and Pt-ligand (azide, hydroxide, pyridine) vibrational signatures for C1 in the mid- and far-IR region, which will provide a basis for the better understanding of the interaction of C1 with biomolecules.<br><br>Dataset contains following items: DFT_output_files (Gaussian 09 log format) Raw_spectral_data (ATR_FTIR & SR_FIR = OPUS format, Raman = txt format) 2026-09-14T08:15:44Z Dataset Dataset 10.82444/warw.33721831.v1 https://figshare.com/articles/dataset/Data_for_Comprehensive_vibrational_spectroscopic_investigation_of_trans_trans_trans-_Pt_N3_2_OH_2_py_2_a_Pt_IV_diazido_anticancer_prodrug_candidate/33721831 CC BY 4.0