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Items: 1 to 20 of 34

1.

Disentanglement of orthogonal hydrogen and halogen bonds via natural orbital for chemical valence: A charge displacement analysis.

Ciancaleoni G, Belpassi L.

J Comput Chem. 2020 Feb 3. doi: 10.1002/jcc.26165. [Epub ahead of print]

PMID:
32011001
2.

Charge Displacement Analysis-A Tool to Theoretically Characterize the Charge Transfer Contribution of Halogen Bonds.

Ciancaleoni G, Nunzi F, Belpassi L.

Molecules. 2020 Jan 11;25(2). pii: E300. doi: 10.3390/molecules25020300. Review.

3.

Influence of halogen bonding on gold(i)-ligand bond components and DFT characterization of a gold-iodine halogen bond.

Buttarazzi E, Rosi F, Ciancaleoni G.

Phys Chem Chem Phys. 2019 Sep 18;21(36):20478-20485. doi: 10.1039/c9cp03811f.

PMID:
31463502
4.

Interplay between Gold(I)-Ligand Bond Components and Hydrogen Bonding: A Combined Experimental/Computational Study.

Marrazzini G, Gabbiani C, Ciancaleoni G.

ACS Omega. 2019 Jan 16;4(1):1344-1353. doi: 10.1021/acsomega.8b03330. eCollection 2019 Jan 31.

5.

Lewis Base Activation of Lewis Acid: A Detailed Bond Analysis.

Ciancaleoni G.

ACS Omega. 2018 Nov 30;3(11):16292-16300. doi: 10.1021/acsomega.8b02243. eCollection 2018 Nov 30.

6.

Controlled Dissociation of Iron and Cyclopentadienyl from a Diiron Complex with a Bridging C3 Ligand Triggered by One-Electron Reduction.

Agonigi G, Ciancaleoni G, Funaioli T, Zacchini S, Pineider F, Pinzino C, Pampaloni G, Zanotti V, Marchetti F.

Inorg Chem. 2018 Dec 17;57(24):15172-15186. doi: 10.1021/acs.inorgchem.8b02445. Epub 2018 Nov 30.

PMID:
30499669
7.

Ubiquity of cis-Halide → Isocyanide Direct Interligand Interaction in Organometallic Complexes.

Bartalucci N, Belpassi L, Marchetti F, Pampaloni G, Zacchini S, Ciancaleoni G.

Inorg Chem. 2018 Dec 3;57(23):14554-14563. doi: 10.1021/acs.inorgchem.8b02088. Epub 2018 Nov 15.

PMID:
30430836
8.

Versatile coordination of acetazolamide to ruthenium(ii) p-cymene complexes and preliminary cytotoxicity studies.

Biancalana L, Batchelor LK, Ciancaleoni G, Zacchini S, Pampaloni G, Dyson PJ, Marchetti F.

Dalton Trans. 2018 Jul 17;47(28):9367-9384. doi: 10.1039/c8dt01555d.

PMID:
29951658
9.

Cooperativity between hydrogen- and halogen bonds: the case of selenourea.

Ciancaleoni G.

Phys Chem Chem Phys. 2018 Mar 28;20(13):8506-8514. doi: 10.1039/c8cp00353j.

PMID:
29537027
10.

Dicarboxylic Acid Separation by Dynamic and Size-Matched Recognition in Solution and in the Solid State.

Kumar V, Pilati T, Terraneo G, Ciancaleoni G, Macchioni A, Resnati G, Metrangolo P.

Angew Chem Int Ed Engl. 2018 Jan 26;57(5):1327-1331. doi: 10.1002/anie.201711822. Epub 2018 Jan 2.

PMID:
29226498
11.

Back-Donation in High-Valent d0 Metal Complexes: Does It Exist? The Case of NbV.

Ciancaleoni G, Belpassi L, Marchetti F.

Inorg Chem. 2017 Sep 18;56(18):11266-11274. doi: 10.1021/acs.inorgchem.7b01635. Epub 2017 Aug 31.

PMID:
28858489
12.

Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis.

Gaggioli CA, Bistoni G, Ciancaleoni G, Tarantelli F, Belpassi L, Belanzoni P.

Chemistry. 2017 Jun 1;23(31):7558-7569. doi: 10.1002/chem.201700638. Epub 2017 May 15.

PMID:
28370714
13.

How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes.

Bistoni G, Rampino S, Scafuri N, Ciancaleoni G, Zuccaccia D, Belpassi L, Tarantelli F.

Chem Sci. 2016 Feb 1;7(2):1174-1184. doi: 10.1039/c5sc02971f. Epub 2015 Oct 26.

14.

Charge-displacement analysis as a tool to study chalcogen bonded adducts and predict their association constants in solution.

Ciancaleoni G, Santi C, Ragni M, Braga AL.

Dalton Trans. 2015 Dec 14;44(46):20168-75. doi: 10.1039/c5dt03388h.

PMID:
26530466
15.

Quantitative assessment of the carbocation/carbene character of the gold-carbene bond.

Azzopardi KM, Bistoni G, Ciancaleoni G, Tarantelli F, Zuccaccia D, Belpassi L.

Dalton Trans. 2015 Aug 21;44(31):13999-4007. doi: 10.1039/c5dt02183a.

PMID:
26161587
16.

Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes.

Gaggioli CA, Ciancaleoni G, Biasiolo L, Bistoni G, Zuccaccia D, Belpassi L, Belanzoni P, Tarantelli F.

Chem Commun (Camb). 2015 Apr 7;51(27):5990-3. doi: 10.1039/c5cc00894h. Epub 2015 Mar 4.

PMID:
25738820
17.

Selectively measuring π back-donation in gold(I) complexes by NMR spectroscopy.

Ciancaleoni G, Biasiolo L, Bistoni G, Macchioni A, Tarantelli F, Zuccaccia D, Belpassi L.

Chemistry. 2015 Feb 2;21(6):2467-73. doi: 10.1002/chem.201406049. Epub 2014 Dec 12.

PMID:
25504684
18.

Discriminating halogen-bonding from other noncovalent interactions by a combined NOE NMR/DFT approach.

Ciancaleoni G, Bertani R, Rocchigiani L, Sgarbossa P, Zuccaccia C, Macchioni A.

Chemistry. 2015 Jan 2;21(1):440-7. doi: 10.1002/chem.201404883. Epub 2014 Oct 29.

PMID:
25353654
19.

Unexpected anion effect in the alkoxylation of alkynes catalyzed by N-heterocyclic carbene (NHC) cationic gold complexes.

Biasiolo L, Trinchillo M, Belanzoni P, Belpassi L, Busico V, Ciancaleoni G, D'Amora A, Macchioni A, Tarantelli F, Zuccaccia D.

Chemistry. 2014 Nov 3;20(45):14594-8. doi: 10.1002/chem.201404539. Epub 2014 Sep 26.

PMID:
25263571
20.

When the Tolman electronic parameter fails: a comparative DFT and charge displacement study of [(L)Ni(CO)₃](0/-) and [(L)Au(CO)](0/+).

Ciancaleoni G, Scafuri N, Bistoni G, Macchioni A, Tarantelli F, Zuccaccia D, Belpassi L.

Inorg Chem. 2014 Sep 15;53(18):9907-16. doi: 10.1021/ic501574e. Epub 2014 Aug 28.

PMID:
25166741

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