Theoretical

Theoretical Publications

2024


108. On the Existence of Pnictogen Bonding Interactions in As(III) S-Adenosylmethionine Methyltransferase Enzymes. R. Gomila, A. Frontera, Chem. Asian J. 2024, Accepted Manuscript

107. Investigating Matere Bonds in Pertechnetate Compounds. D. Grödler, S. Burguera, A. Frontera, E. Strub, Chem. Eur. J. 2024, Accepted Manuscript

106.  Hybrid 2D Supramolecular Organic Frameworks (SOFs) Assembled by the Cooperative Action of Hydrogen and Halogen Bonding and π···π Stacking Interactions. S. V. Baykov, A. V. Semenov, S. I. Presnukhina, M. V. Tarasenko, A. A. Shetnev, A. Frontera, V. P. Boyarskiy, V. Y. Kukushkin, Int. J. Mol. Sci. 2024, 25, 2062

105. Definition of the pnictogen bond (IUPAC Recommendations 2023). G. Resnati, D. L. Bryce, G. R. Desiraju, A. Frontera, I. Krossing, A. C. Legon, P. Metrangolo, F. Nicotra, K. Rissanen, S. Scheiner, G. Terraneo, Pure Appl. Chem. 2024, 96, 135-145

104. Convenient access to π-conjugated 1,3-azaphospholes from alkynes via [3+2]-cycloaddition and reductive aromatization.  J. Fidelius, K. Schwedtmann, S. Schellhammer, J. Haberstroh, S. Schulz, R. Hunang, M. C. Klotzsche, A. Bauzá, A. Frontera, S. Reineke, J.  J. Weigand, Chem 2024, 10, 644-659

103. Investigating the Impact of Packing and Environmental Factors on the Luminiscence of Pt(N^N^N) Chromophores. G. Romo-Islas, S. Burguera, A. Frontera, L. Rodríguez, Inorg. Chem. 2024, 63, 2821-2832

2023


102. Triiodide-Based Chair-Like Cooper Complex Assembled by Halogen Bonding. M. A. Kinzhalov, E. I. Kinzhalova, V. A. Karnoukhova, I. V. Anayev, R. M. Gomila, A. Frontera, V. Y. Kukushkin, N. A. Bokach, Inorg. Chem. 2023, 63, 191-202

101. Supramolecular Nature of Multicomponent Crystals Formed from 2,2′-Thiodiacetic Acid. with 2,6-Diaminopurine or N9-(2-Hydroxyethyl)adenine. J. C. Belmont-Sánchez, D. Choquesillo-Lazarte, M. E. García-Rubiño, A. Montilla-Hernández, J. Niclós-Gutiérrez, A. Castiñeiras, A. Frontera, Int. J. Mol. Sci. 2023, 24, 17381

100. Chalcogen and Hydrogen Bond Team up in Driving Anion···Anion Self-Assembly. R. Beccaria, A. Dhaka, M. Calabrese, A. Pizzi, A. Frontera, G. Resnati, Chem. Eur. J. 2023, 30, e202303641

99. Capturing volatile organic compounds using Ag and Au nanoparticles: regium-π and C-H···Ag/Au interactions at work. M. N. Piña, J. Morey, A. Frontera, A. Bauzá, J. Mater. Chem. A 2023, 11, 25865-25874

98. Spodium Bons Involving Methylmercury and Ethylmercury in Proteins: Insights from X-ray Analysis and Computations. S. Burguera, A. K. Sahu, A. Frontera, H. S. Biswal, A. Bauzá, Inorg. Chem. 2023, 62, 18524-18532

97. Tuning the Nucleophilicity and Electrophilicity of Group 10 Elements throgh Substituent Effects: A DFT Study. S. Burguera, A. Bauzá, A. Frontera, Int. J. Mol. Sci. 2023, 24, 15597

96. Sulfate-induced large amplitude conformational change in a Solomon link. C. D. Do, D. Pál, A. Belyaev, M. Pupier, A. Kiesilä, E. Kalenius, B. Galmés, A. Frontera, A. I. Poblador Bahamonde, F. B. L. Cougnon, Chem. Commun. 2023, 59, 13010-13013

95. Enzymatic reversion of Pt(II) nucleophilicity through charge dumping: The case of Pt(CN)42-. S. Burguera, A. Frontera, A. Bauzá, Chem. Commun. 2023, 59, 12847-12850

94. Linear bis-Coordinate Silver(I) and Iodine(I) Complexes with R3R2R1 Tertiary Amines. P. Kumar, J. Komulainen, A. Frontera, J. S. Ward, C. Schalley, K. Rissanen, R. Puttreddy, Chem. Eur. J. 2023, 29, e202302162 

93. Fluorogenic In Situ Thioacetalization: Expanding the Chemical Space of Fluorescent Probes, Including Unorthodox, Bifurcated, and Mechanosensitive Chalcogen Bonds. X. -X. Chen, R. M. Gomila, J. M. García-Arcos, M. Vonesch, N. González-Sanchís, A. Roux, A. Frontera, N. Sakai, S. Matile, JACS Au 2023, 3, 2557-2565

92. On the importance of Halogen and Chalcogen Bonds in the Solid State of Nucleic Acids: A Combined Crystallographic and Theoretical Perspective. M. N. Piña, A. Bauzá, Int. J. Mol. Sci. 2023, 24, 13035

91. Erytronium Bonds: Noncovalent interactions involving Group 5 Elements as Electron Density Acceptors. M. Clabrese, R. M. Gomila, A. Pizzi, A. Frontera, G. Resnati, Chem. Eur. J. 2023, 29, e202302176

90. Supramolecular luminiscent Pt(II) tweezers. Aggregation studies and 1O2 production. G. Romo, R. M. Gomila, A. Frontera, L. Rodríguez, Inorg. Chem. Front. 2023, 10, 6204-6220

89. Crystallographic Aspects, Photophysical Properties, and Theoretical Survey of Tetrachlorometallates of Group 12 Metals [Zn(II), Cd(II), and Hg(II)] with a Triply Protonated 2,4,6-Tris(2-pyridil)-1,3,5-triazine Ligand. S. Pramanik, S. Jana, K. Das, S. Pathak, J. Ortega-Castro, A. Frontera, S. Mukhopadhyay, Inorg. Chem. 2023, 62, 7220-7234

88. Ligand and Gold(I) Fluorescein-AIEgens as Photosensitizers in Solution and Doped Polymers. A. Pinto, A. Llanos, R. M. Gomila, A. Frontera, L. Rodríguez, Inorg. Chem. 2023, 62, 7131-7140

87. Cationic Phosphinidiene as a Versatile P1 Building Block: [LC-P]+ Transfer from. Phosphonio-Phosphanides [LC-P-PR3]+ and Subsequent LC Replacement Reactions (LC = N-Heterocyclic Carbene). P. Royla, K. Schwedtmann, Z. Han, J. Fidelius, D. P. Gates, R. M. Gomila, A. Frontera, J. J. Weigand, J. Am. Chem. Soc. 2023, 145, 10364-10375

86. Regium-π Bonds Involving Nucleobases: Theoretical Study and Biological Implications. S. Burguera, A. Frontera, A. Bauzá, Inorg. Chem. 2023, 62, 6740-6750 

85. Computational Study of Driving Forces in ATSP, PDIQ, and P53 Peptide Binding: C=O···C=O Tetrel Bonding Interactions at Work. L. Lang, A. Frontera, A. Pérez, A. Bauzá, J. Chem. Inf. Model. 2023, 63, 3018-3029

84. Noncovalent Chelation by Halogen Bonding in the Design of Metal-Containing Arrays: Assembly of Double σ-Hole Donating Halolium with CuI-Containing O,O-Donors. A. V. Semenov, S. V. Baykov, N. S. Soldatova, K. K. Geyl, D. M. Ivanov, A. Frontera, V. P. Boyarskiy, P. S. Postnikov, V. Y. Kukushkin, Inorg. Chem. 2023, 62, 6128-6137

83. Control of the assembly of a cyclic hetero [4]pseudorotaxane from a self-complementary [2] rotaxane. A. Saura-Sanmartín, T. Nicolás-García, A. Pastor, D. Quiñonero, M. Alajarín, A. Martínez-Cuezva, J. Berna, Chem. Sci. 2023, 14, 4143-4151

82. The Origin of Anion-π Autocatalysis. M. A. Gutiérrez, M. -L. Tan, A. Frontera, S. Matile, JACS Au 2023, 3, 1039-1051

81. A Comprehensive Ab Initio Study of Halogenated A···U and G···C Base Pair Geometries and Energies. R. M. Gomila, A. Frontera, A. Bauzá, Int. J. Mol. Sci. 2023, 24, 5530

80. Structural predictions of protein-DNA binding: MELD-DNA. R. Esmaeeli, A. Bauzá, A. Pérez, Nucleic Acids Res. 2023, 51, 1625-1636

79. Halogen Bonding between Metal-bound I3 and Unbound I2: The Trapped I2···I3 Intermediate in the Controlled Assembly of Copper(I)-based Polyiodides. M. A. Kinzhalov, D. M. Ivanov, A. V. Shishkina, A. A. Melekhova, V. V. Suslonov, A. Frontera, V. Y. Kukushkin, N. A. Bokach, Inorg. Chem. Front. 2023, 10, 1522-1533

78. Interchangeability and Disorder in the Solid-State Structures of “Two Wall” Calix[4]pyrroles Equipped with Iodine and Ethynyl para-Substituents. A. Rivoli, R. M. Gomila, A. Frontera, P. Ballester, Chem. Asian J. 2023, 18, e202201192

77. Quantification of the P=O···HN hydrogen bond in the binding of creatinine with phosphonate calix[4]pyrroles. A. F. Sierra, G. Aragay, R. M. Gomila, P. Ballester, Org. Chem. Front. 2023, 10, 996-1002

2022


76. Cu(II)-Based Molecular Hexagons Forming Honeycomb-like Networks Exhibit High Electrical Conductivity. S. Naaz, P. Das, S. Khan, B. Dutta, S. Roy, A. Frontera, P. P. Ray, M. H. Mir, Inorg. Chem. 2022, 61, 19828-19837

75. Stacking Interactions: a Supramolecular Approach to Upgrade Weak Halogen Bond Donors. S. V. Baykov, D. M. Ivanov, S. O. Kasatkina, B. Galmés, A. Frontera, G. Resnati, V. Y. Kukushkin, Chem. Eur. J. 2022, 28, e202201869

74. Supramolecular gold(I) vesicles. In-depth study of the aggregation process. A. Pinto, J. Sonet, R. M. Gomila, A. Frontera, J. C. C. Lima, L. Rodríguez, Inorg. Chem. Front. 2022, 9, 6047-6060

73. Heterocovalent chalcogen bonding: supramolecular assembly driven by the occurrence of a tellurium(II)···Ch(I) (Ch = S, Se, Te) linkage. Y. V. Torubaev, A. V. Rozhkov, I. V. Skabitsky, R. M. Gomila, A. Frontera, V. Y. Kukushkin, Inorg. Chem. Front. 2022, 9, 5635-5644

72. Unprecedented {dZ2-CuIIO4}···π-hole interactions: the case of a cocrystal of Cu(II) bis-β-diketonate complex with 1,4-diiodotetrafluoro-benzene. D. Blasi, V. Nicolai, R. M. Gomila, P. Mercandelli, A. Frontera, L. Carlucci, Chem. Commun. 2022, 58, 9524-9527

71. Periodate anion as halogen bond donor: Formation of anion···anion dimers and other adducts. M. Calabrese, A. Pizzi, A. Daolio, A. Frontera, G. Resnati, Chem. Commun. 2022, 58, 9274-9277

70. Noncovalent interactions involving group 6 in biological systems: The case of the Molybdopterin and Tungstopterin cofactos. A. Bauzá, A. Frontera, Chem. Eur. J. 2022, 28, e202201660

69. On metal coordination of neutral open-shell P-ligands focusing on phosphanoxyls, their electron residence and reactivity. P. Brehm, A. Frontera, R. Streubel, Chem. Commun. 2022, 58, 6270-6279

68. Role of Redox-Inactive Metal Ions in Modulationg the Reduction Potential of Uranyl Schiff Base Complexes: Detailed Experimental and Theoretical Studies. T. K. Ghosh, S. Maity, S. Ghosh, R. M. Gomila, A. Frontera, A. Ghosh, Inorg. Chem. 2022, 61, 7130-7142

67. Inorganic-Organic {dZ2-MIIS4}···π-Hole Stacking in Reverse Sandwich Structures. The Case of Cocrystals of Group 10 Metal Dithiocarbamates with Electron-deficient Arenes. L. E. Zelenkov, A. A. Eliseeva, S. Baykov, D. M. Ivanov, A. I. Sumina, R. M. Gomila, A. Frontera, V. Y. Kukushkin, N. A. Bokach, Inorg. Chem. Front. 2022, 9, 2869-2879

66. Zwitterionic Iodonium Species Afford Halogen Bond-Based Porous Organic Frameworks. N. S. Soldatova, P. S. Postnikov, D. M. Ivanov, O. Semyonov, O. Kukurina, O. Guselnikova, Y. Yamauchi, T. Wirth, V. V. Zhdankin, M. S. Yusubov, R. M. Gomila, A. Frontera, G. Resnati, V. Y. Kukushkin, Chem. Sci. 2022, 13, 5650-5658

65. Direct conversion of white phosphorus to versatile phosphorus transfer reagent via oxidative onioation. M. Donath, K. Schwedtmann, T. Schneider, F. Hennersdorf, A. Bauzá, A. Frontera, J. J. Weigand, Nat. Chem. 2022, 14, 384-391

64. Do 2-coordinate iodine(I) and silver(I) complexes form Nucleophilic Iodinium Interactions (NIIs) in solution? S. Wilcox, D. Sethio, J. S. Ward, A. Frontera, R. Lindh, K. Rissanen, M. Erdelyi, Chem. Commun. 2022, 58, 4977-4980 

63. Chameleonic Metal-bound Isocyanides: π-Donating CuI-center Imparts a Nucleophilicity to the Isocyanide Carbon toward Halogen Bonding. M. A. Kinzhalov, D. M. Ivanov, A. A. Melekhova, N. A. Bokach, R. M. Gomila, A. Frontera. V. Y. Kukushkin, Inorg. Chem. Front. 2022, 9, 1655-1665

62. Topochemical [2+2] Cycloaddition in a Two-Dimensional Metal-Organic Framework via SCSC Transformation Impacts Halogen···Halogen Interactions. S. Khan, A. Frontera, R. Matsuda, S. Kitagawa, M. H. Mir, Inorg. Chem. 2022, 61, 3029-3032

61. Anion-π Catalysis Enabled by the Mechanical Bond. J. R. J. Maynard, B. Galmés, A. Stergiou, M. Symes, A. Frontera, S. M. Goldup, Angew. Chem. Int. Ed. 2022, 61, e202115961

60. Aza-Crown-Based Macrocyclic Probe Design for “PET-off” Multi-Cu2+ Responsive and “CHEF-on” Multi-Zn2+ Sensor: Application in Biological Cell Imagin and Theoretical Studies. P. Ghorai, S. G. Chowdhury, K. Pal, J. Mandal, P. Karmakar, A. Franconetti, A. Frontera, S. Blasco, E. García-España, P. P. Parui, A. Saha, Inorg. Chem. 2022, 61, 1982-1996

59. Metal Centers as Nucleophiles: Oxymoron of Halogen Bond-Involving Crystal Engineering. D. M. Ivanov, N. A. Bokach, V. Y. Kukushkin, A. Frontera, Chem. Eur. J. 2022, 28, e202103173

2021


58. Macrocyclic Complexes Based on [N···I···N]+ Halogen Bond. S. Yu, E. Kalenius, A. Frontera, K. Rissanen, Chem. Commun. 2021, 57, 12464-12467

57. Highly Polar Stacking Interactions Wrap Inorganics in Organics: Lone-pair-π-Hole Interactions between the PdO4 Core and Electron-deficient Arenes. Y. Torubaev, I. V. Skabitsky, A. V. Rozhkov, B. Galmés, A. Frontera, V. Y. Kukushkin, Inorg. Chem. Front. 2021, 8, 4965-4975

56. Importance of Anion-π Interactions in RNA GAAA and GGAG Tetraloops: A Combined MD and QM Study. R. Esmaeeli, M. N. Piña, A. Frontera, A. Pérez, A. Bauzá, J. Chem. Theory Comput. 2021, 17, 6624-6633

55. Bifunctional Fluorophosphonium Triflates as Intramolecular Frustrated Lewis Pairs: Reversible CO2 Sequestration and Binding of Carbonyls, Nitriles and Acetylenes. C. -X. Guo, K. Schwedtmann, J. Fidelius, F. Hennersdorf, A. Dickschat, A. Bauzá, A. Frontera, J. J. Weigand, Chem. Eur. J. 2021, 27, 13709-13714

54. Diastereoselective Amplification of a Mechanically Chiral [2]Catenane. K. Caprice, D. Pál, C. Besnard, B. Galmés, A. Frontera, F. B. L. Cougnon, J. Am. Chem. Soc. 2021, 143, 11957-11962

53. Molecular electrostatic potential and noncovalent interactions in derivatives of group 8 elements. G. Resnati, A. Daolio, A. Pizzi, M. Calabrese, G. Terraneo, S. Bordignon, A. Frontera, Angew. Chem. Int. Ed. 2021, 60, 20723-20727

52. Unprecedented [d9]Cu···[d10]Au Coinage Bonding Interactions in {Cu(NH3)4[Au(CN)2]}+[Au(CN)2] salt. E. Priola, G. Mahmoudi, J. Andreo, A. Frontera, Chem Commun. 2021, 57, 7268-7271

51. Ultrashort Hδ+··· Hδ- intermolecular distance in a supramolecular system in the solid state. A. García-Márquez, A. Frontera, T. Roisnel, R. Gramage-Doria, Chem. Commun. 2021, 57, 7112-7115

50. Anion···Anion Coinage Bond: the Case of Tetrachloridoaurate. G. Resnati, A. Daolio, A. Pizzi, G. Terraneo, M. Ursini, A. Frontera, Angew. Chem. Int. Ed. 2021, 60, 14385-14389

49. Nucleophilic Iodonium Interactions (NIIs) in 2-coordinate Iodine (I) and Silver (I) Complexes. J. S. Ward, A. Frontera, K. Rissanen, Chem.  Commun. 2021, 57, 5094-5097

48. A convenient Access to Fluorophosphonium Triflate Salts by Electrophilic Fluorination and Anion Exchange. C. -X. Guo, S. Yogendra, R. M. Gomila, A. Frontera, F. Hennersdorf, J. Steup, K. Schwedtmann, J. J. Weigand, Inorg. Chem. Front. 2021, 8, 2854-2864

47. Electron Belt-to-σ-Hole Switch of Noncovalently Bound Iodine(I) Atoms in Dithiocarbamate Metal Complexes. L. E. Zelenkov, A. A. Eliseeva, S. Baykov, V. V. Suslonov, B. Galmés, A. Frontera, V. Y. Kukushkin, N. A. Bokach, Inorg. Chem. Front. 2021, 8, 2505-2517

46. Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor. A. A. Eliseeva, D. M. Ivanov, A. V. Rozhkov, I. V. Ananyev, A. Frontera, V. Y. Kukushkin, JACS Au 2021, 1, 354-361

45. A “nucleophilic” iodine in a halogen-bonded iodinium complex manifest an unprecedented I+···Ag+ interaction. S. Yu, P. Kumar, J. S. Ward, A. Frontera, K. Rissanen, Chem 2021, 7, 948-958

2020


44. Naphthalenediimides with Cyclic Oligochalcogenides in Their Core. I. Shybeka, A. Aster, Y. Cheng, N. Sakai, A. Frontera, E. Vauthey, S. Matile, Chem. Eur. J. 2020, 26, 14059-14063 

43. Regium-π Bond Are Involved in Protein-Gold Binding. M. N. Piña, A. Frontera, A. Bauzá, J. Phys. Chem. Lett. 2020, 11, 8259-8263

42. Diaryliodonium as a Double σ-Hole Donor: The Dichotomy of Thiocyanate Halogen Bonding Provides Divergent Solid State Arylation by Diaryliodonium. N. S. Soldatova, P. S. Postnikov, V. V. Suslonov, T. Y. Kissler, D. M. Ivanov, M. Yusubov, B. Galmés, A. Frontera, V. Y. Kukushkin, Org. Chem. Front. 2020, 7, 2230-2242

41. Halogen bonds in Protein-Nucleic Acid recognition. A. Bauzá, A. Frontera, J. Chem. Theory Comput. 2020, 16, 4744-4752

40. Pnictogen-Bonding Catalysis: Brevetoxin-Type Polyether Cyclizations. A. Gini, M. Paraja, B. Galmés, C. Besnard, A. I. Poblador-Bahamonde, N. Sakai, A. Frontera, S. Matile, Chem. Sci. 2020, 11, 7086-7091

39. Engineering crystals using sp3-C centred tetrel bonding interactions. T. J. Mooibroek, J. J. Roeleveld, S. J. Lekanne Deprez, A. Verhoofstad, A. Frontera, J. I. van der Vlugt, Chem. Eur. J. 2020, 26, 10126-10132 

38. Asymmetric [N-I-N]+ Halonium Complexes. J. S. Ward, G. Fiorini, A. Frontera, K. Rissanen, Chem. Commun. 2020, 56, 8428-8431

37. Spodium bonds: noncovalent interactions involving group 12 of elements. A. Bauzá, I. Alkorta, J. Elguero, T. J. Mooibroek, A. Frontera, Angew. Chem. Int. Ed. 2020, 59, 17482-17487 

36. Selective Functionalisation of Aromatic Alcohols with Supramolecularly Regulated Gold(I) Catalyst. L. Carreras, A. Franconetti, A. Grabulosa, A. Frontera, A. Vidal-Ferran, Org. Chem. Front. 2020, 7, 1626-1634

35. Supramolecular Assembly of Metal Complexes by (Aryl)I···dz2[PtII] Halogen Bond. E. A. Katienok, M. Haukka, O. V. Levin, A. Frontera, V. Y. Kukushkin, Chem. Eur. J. 2020, 28, 7692-7701

34. Synthesis, X-ray characterization and regium bonding interactions of a trichloro(1-hexylcytosine)-gold(III) complex. A. Terrón, J. Buils, T. J. Mooibroek, M. Barceló-Oliver, A. García-Raso, J. J. Fiol, A. Frontera, Chem. Commun. 2020, 56, 3524-3527

33. Anion recognition by neutral chalcogen bonding receptors: experimental and theoretical investigation. E. Navarro-García, B. Galmés, M. D. Velasco, A. Caballero, A. Frontera, Chem. Eur. J. 2020, 26, 4706-4713

32. Charge assisted chalcogen bonds: CSD and DFT analyses and biological implication in glucosidase inhibitors. B. Galmés, A. Juan-Bals, A. Frontera, G. Resnati, Chem. Eur. J. 2020, 26, 4599-4606

31. σ/π-Hole noble gas bonding interactions: Insights from theory and experiment. A. Bauzá, A. Frontera, Coord. Chem. Rev. 2020, 404, 213112

30. The effect of guest metal ions on the reduction potentials of uranium (VI) complexes: Experimental and theoretical investigations. T. K. Ghosh, P. Mahapatra, M. G. B. Drew, A. Franconetti, A. Frontera, A. Ghosh, Chem. Eur. J. 2020, 26, 1612-1623

2019


29. Controlled Scrambling Reactions to Polyphosphanes via Bond Metathesis Reactions. R. Schoemaker, K. Schwedtmann, A. Franconetti, A. Frontera, F. Hennersdorf, J. J. Weigand, Chem. Sci. 2019,10, 11054-11063

28. Definition of the chalcogen bond (IUPAC Recommendations 2019). C. B. Aakeroy, D. L. Bryce, G. R. Desiraju, A. Frontera, A. C. Legon, F. Nicotra, K. Rissanen, S. Scheiner, G. Terraneo, P. Metrangolo, G. Resnati, Pure Appl. Chem. 2019, 91, 1889-1892

27. π-Hole Interactions Involving Nitro Aromatic Ligands Within Protein Structures. A. Bauzá, A. Frontera, T. J. Mooibroek, Chem. Eur. J. 2019, 25, 13436-13443

26. Anion-π interactions in light-induced reactions. Their role in the amidation of (hetero)aromatic systems with activated N-aryloxyamides. L. Buglioni, M. M. Mastandrea, A. Frontera, M. A. Pericàs, Chem. Eur. J. 2019, 25, 11785-11790

25. Formation of a imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC). K. Schwedtmann, J. Haberstroh, Sven Roediger, A. Bauzá, A. Frontera, F. Hennersdorf, J. J. Weigand, Chem. Sci. 201910, 6868-6875

24. Synchroized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link. K. Caprice, M. Pupier, A. Bauzá, A. Frontera, F. B. L. Cougnon, Angew. Chem. Int. Ed. 2019, 58, 8053-8057

23. Theoretical and crystallographyc study on Pb(IV) tetrel bonding interactions. A. Franconetti, A. Frontera, Chem. Eur. J. 2019, 25, 6007-6013

22. Halogen Bonding Effects on the Outcome of Reactions at Metal Centres. L. Carreras, J. Benet-Buchholz, A. Franconetti, A. Frontera, P. W. N. M. van Leeuwen, A. Vidal-Ferran, Chem. Commun. 2019, 55, 2380-2383

21. Tetrel bonding interactions at work: Impact on tin and lead coordination compounds. A. Bauzá, S. K. Seth, A. Frontera, Coord. Chem. Rev. 2019, 384, 107-125

20. H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates. R. Barbas, R. Prohens, A. Bauzá, A. Franconetti, A. Frontera, Chem. Commun. 2019, 55, 115-118

2018


19. Primary Anion-π Catalysis and Autocatalysis. X. Zhang, X. Hao, L. Liu, A-T. Pham, J. López-Andarias, A. Frontera, N. Sakai, S. Matile, J. Am. Chem. Soc. 2018, 140, 17867-17871

18. A Strategy to Synthesize Molecular Knots and Links Using the Hidrophofic Effect. F. B. L. Cougnon, K. Caprice, M. Pupier, A. Bauzá, A. Frontera, J. Am. Chem. Soc. 2018, 140, 12442-12450

17. Investigating Polyoxometalate-Protein Interactions at Chemically Distinct Binding Sites. T. Paul, T. Parac-Vogt, D. Quiñonero, R. Prabhakar, J. Phys. Chem. B 2018, 122, 7219-7232

16. Remote Control of Anion-π Catalysis on Fullerene-Centered Catalytic Triads. J. Lopez-Andarias, A. Bauzá, N. Sakai, A. Frontera, S. Matile, Angew. Chem. Int. Ed. 2018, 57, 10883-10887

15. Synergistic Anion-(π)nπ Catalysis on π-Stacked Foldamers. A. Bornhof, A. Bauzá, A. Aster, M. Pupier, A. Frontera, E. Vauthey, N. Sakai, S. Matile, J. Am. Chem. Soc. 2018, 140, 4884-4892

14. Substituent Effects in Multivalent Halogen Bonding Complexes: A Combined Theoretical and Crystallographic Study. A. Bauzá, D. Quiñonero, A. Frontera, Molecules 2018, 23, 18

13. H-Bonded anion-anion complex trapped in a squaramido-based receptor. R. Prohens, A. Portell, M. Font-Bardia, A. Bauza, A. Frontera, Chem. Commun. 2018, 54, 1841-1844

2017


12. Anion-π Catalysis on Fullerenes. J. Lopez-Andarias, A. Frontera, S. Matile, J. Am. Chem. Soc. 2017, 139, 13296-13299

11. Hydrogen Bond versus Halogen Bond in Cation-Cation Complexes: Effect of the Solvent. S. Chalanchi, I. Alkorta, J. Elguero, D. Quiñonero, ChemPhysChem 2017, 18, 3462-3468

10. Selective and Reversible Fluoride Complexation from Water by a Cyclic Tri(phosphonio)methanide Dication. S. Yogendra, F. Hennersdorf, A. Bauzá, A. Frontera, R. Fischer, J. Weigand, Angew. Chem. Int. Ed. 2017, 56, 7907-7911

9. Sigma-hole carbon-bonding interactions in carbon-carbon double bonds: an unnoticed contact. D. Quiñonero, Phys. Chem. Chem. Phys. 201719, 15530-15540

8. Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a Cationic Diphosphene. K. Schwedtmann, F. Hennersdorf, A. Bauza, A. Frontera, R. Fischer, J. Weigand, Angew. Chem. Int. Ed. 201756, 6218-6222

7. NO3 anions can act as Lewis acid in the solid state. A. Bauza, A. Frontera, T. Mooibroek, Nat. Commun. 2017, 8, 14522

6. Ambiguous reactivity of Li/Cl phosphinidenoid complexes under redox conditions – a novel dichotomy in phosphorus chemistry. C. Garcia, A. Bauzá, G. Schnakenburg, A. Frontera, R. Streubel, Chem. Commun. 2017, 53, 933-936

2016


5. A thorough anion-π interaction study in biomolecules: on the importance of cooperativity effects. X. Lucas, A. Bauzá, A. Frontera, D. Quiñonero, Chem. Sci. 2016, 7, 1038-1050

4. Cation-cation and anion-anion complexes stabilized by halogen bonds. D. Quiñonero, I. Alkorta, J. Elguero, Phys. Chem. Chem. Phys. 201618, 27939-27950

3. Weak interactions within nitryl halide heterodimers. D. Quiñonero, A. Bauzá, G. Sánchez-Sanz, C. Trujillo, I. Alkorta, J. Elguero, New. J. Chem. 201640, 9060-9072

2015


2. Reconciling Experiment and Theory in the Use of Aryl-Extended Calix[4]pyrrole Receptors for the Experimental Quantification of Chloride–π Interactions in Solution. A. Bauzá, D. Quiñonero, A. Frontera, P. Ballester, Int. J. Mol. Sci. 201516, 8934-8948 

1. Anion Recognition by Pyrylium Cations and Thio-, Seleno- and Telluro- Analogues: A Combined Theoretical and Cambridge Structural Database Study. D. Quiñonero, Molecules 2015, 20, 11632-11659