Protactinium and the intersection of actinide and transition metal chemistry
Abstract
The role of the 5f and 6d orbitals in the chemistry of the actinide elements has been of considerable interest since their discovery and synthesis. Relativistic effects cause the energetics of the 5f and 6d orbitals to change as the actinide series is traversed left to right imparting a rich and complex chemistry. The 5f and 6d atomic states cross in energy at protactinium (Pa), making it a potential intersection between transition metal and actinide chemistries. Herein, we report the synthesis of a Pa-peroxo cluster, A6Pa4O(O2)6F12 [A = Rb, Cs, (CH3)4N], formed in pursuit of an actinide polyoxometalate. Quantum chemical calculations at the density functional theory level demonstrate equal 5f and 6d orbital participation in the chemistry of Pa and increasing 5f orbital participation for the heavier actinides. Periodic changes in orbital character to the bonding in the early actinides highlights the influence of the 5f orbitals in their reactivity and chemical structure.
- Authors:
-
[1];
[1];
[2]
- Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division
- Univ. de Lille, Lille (France). Physique des Lasers Atomes et Molecules
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1426227
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nature Communications
- Additional Journal Information:
- Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2041-1723
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Wilson, Richard E., De Sio, Stephanie, and Vallet, Valerie. Protactinium and the intersection of actinide and transition metal chemistry. United States: N. p., 2018.
Web. doi:10.1038/s41467-018-02972-z.
Wilson, Richard E., De Sio, Stephanie, & Vallet, Valerie. Protactinium and the intersection of actinide and transition metal chemistry. United States. https://doi.org/10.1038/s41467-018-02972-z
Wilson, Richard E., De Sio, Stephanie, and Vallet, Valerie. Mon .
"Protactinium and the intersection of actinide and transition metal chemistry". United States. https://doi.org/10.1038/s41467-018-02972-z. https://www.osti.gov/servlets/purl/1426227.
@article{osti_1426227,
title = {Protactinium and the intersection of actinide and transition metal chemistry},
author = {Wilson, Richard E. and De Sio, Stephanie and Vallet, Valerie},
abstractNote = {The role of the 5f and 6d orbitals in the chemistry of the actinide elements has been of considerable interest since their discovery and synthesis. Relativistic effects cause the energetics of the 5f and 6d orbitals to change as the actinide series is traversed left to right imparting a rich and complex chemistry. The 5f and 6d atomic states cross in energy at protactinium (Pa), making it a potential intersection between transition metal and actinide chemistries. Herein, we report the synthesis of a Pa-peroxo cluster, A6Pa4O(O2)6F12 [A = Rb, Cs, (CH3)4N], formed in pursuit of an actinide polyoxometalate. Quantum chemical calculations at the density functional theory level demonstrate equal 5f and 6d orbital participation in the chemistry of Pa and increasing 5f orbital participation for the heavier actinides. Periodic changes in orbital character to the bonding in the early actinides highlights the influence of the 5f orbitals in their reactivity and chemical structure.},
doi = {10.1038/s41467-018-02972-z},
journal = {Nature Communications},
number = 1,
volume = 9,
place = {United States},
year = {Mon Feb 12 00:00:00 EST 2018},
month = {Mon Feb 12 00:00:00 EST 2018}
}
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Works referenced in this record:
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
journal, January 2005
- Weigend, Florian; Ahlrichs, Reinhart
- Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305
Metal–ligand multiple bonding in uranium: structure and reactivity
journal, January 2010
- Hayton, Trevor W.
- Dalton Trans., Vol. 39, Issue 5
An aqueous route to [Ta6O19]8– and solid-state studies of isostructural niobium and tantalum oxide complexes
journal, January 2007
- Anderson, Travis M.; Rodriguez, Mark A.; Bonhomme, François
- Dalton Transactions, Issue 40
Effect of spin-orbit coupling on the actinide dioxides AnO 2 (An=Th, Pa, U, Np, Pu, and Am): A screened hybrid density functional study
journal, October 2012
- Wen, Xiao-Dong; Martin, Richard L.; Roy, Lindsay E.
- The Journal of Chemical Physics, Vol. 137, Issue 15
Crystal structure of bis(tetraethylammonium) oxopentachloroprotactinate(V)
journal, January 1972
- Brown, D.; Reynolds, C. T.; Moseley, P. T.
- Journal of the Chemical Society, Dalton Transactions, Issue 7
A Rare Tetranuclear Thorium(IV) μ 4 -Oxo Cluster and Dinuclear Thorium(IV) Complex Assembled by Carbon-Oxygen Bond Activation of 1,2-Dimethoxyethane (DME)
journal, November 2014
- Travia, Nicholas E.; Scott, Brian L.; Kiplinger, Jaqueline L.
- Chemistry - A European Journal, Vol. 20, Issue 51
The performance of density functional theory for the description of ground and excited state properties of inorganic and organometallic uranium compounds
journal, February 2018
- Reta, Daniel; Ortu, Fabrizio; Randall, Simon
- Journal of Organometallic Chemistry, Vol. 857
Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf–Pt
journal, April 2009
- Figgen, Detlev; Peterson, Kirk A.; Dolg, Michael
- The Journal of Chemical Physics, Vol. 130, Issue 16
A short history of SHELX
journal, December 2007
- Sheldrick, George M.
- Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122
Elucidating Protactinium Hydrolysis: The Relative Stabilities of PaO 2 (H 2 O) + and PaO(OH) 2 +
journal, July 2015
- Dau, Phuong D.; Wilson, Richard E.; Gibson, John K.
- Inorganic Chemistry, Vol. 54, Issue 15
First Structural Characterization of a Protactinium(V) Single Oxo Bond in Aqueous Media
journal, December 2005
- Le Naour, Claire; Trubert, Didier; Di Giandomenico, Maria V.
- Inorganic Chemistry, Vol. 44, Issue 25
Synthesis of Imido Analogs of the Uranyl Ion
journal, December 2005
- Hayton, T. W.
- Science, Vol. 310, Issue 5756
Covalency hinders AnO 2 (H 2 O) + → AnO(OH) 2 + isomerisation (An = Pa–Pu)
journal, January 2016
- Kaltsoyannis, Nikolas
- Dalton Transactions, Vol. 45, Issue 7
Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex
journal, May 2016
- So, Yat-Ming; Li, Yang; Au-Yeung, Ka-Chun
- Inorganic Chemistry, Vol. 55, Issue 20
Multinuclear NMR Investigations of the Oxygen, Water, and Hydroxyl Environments in Sodium Hexaniobate
journal, May 2004
- Alam, Todd M.; Nyman, May; Cherry, Brian R.
- Journal of the American Chemical Society, Vol. 126, Issue 17
Identification of the Formal +2 Oxidation State of Plutonium: Synthesis and Characterization of {Pu II [C 5 H 3 (SiMe 3 ) 2 ] 3 } −
journal, March 2017
- Windorff, Cory J.; Chen, Guo P.; Cross, Justin N.
- Journal of the American Chemical Society, Vol. 139, Issue 11
Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y–Pd
journal, March 2007
- Peterson, Kirk A.; Figgen, Detlev; Dolg, Michael
- The Journal of Chemical Physics, Vol. 126, Issue 12
Synthesis and Characterization of a Uranium(II) Monoarene Complex Supported by δ Backbonding
journal, May 2014
- La Pierre, Henry S.; Scheurer, Andreas; Heinemann, Frank W.
- Angewandte Chemie International Edition, Vol. 53, Issue 28
Toward reliable density functional methods without adjustable parameters: The PBE0 model
journal, April 1999
- Adamo, Carlo; Barone, Vincenzo
- The Journal of Chemical Physics, Vol. 110, Issue 13
Harnessing redox activity for the formation of uranium tris(imido) compounds
journal, July 2014
- Anderson, Nickolas H.; Odoh, Samuel O.; Yao, Yiyi
- Nature Chemistry, Vol. 6, Issue 10
Elucidating bonding preferences in tetrakis(imido)uranate(VI) dianions
journal, April 2017
- Anderson, Nickolas H.; Xie, Jing; Ray, Debmalya
- Nature Chemistry, Vol. 9, Issue 9
Peroxo complexes of niobium(V) and tantalum(V)
journal, October 2006
- Bayot, D.; Devillers, M.
- Coordination Chemistry Reviews, Vol. 250, Issue 19-20
Synthesis and Structural Characterization of the First Uranium Cluster Containing an Isopolyoxometalate Core
journal, September 2001
- Duval, Paul B.; Burns, Carol J.; Clark, David L.
- Angewandte Chemie International Edition, Vol. 40, Issue 18
COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
journal, January 1993
- Klamt, A.; Schüürmann, G.
- J. Chem. Soc., Perkin Trans. 2, Issue 5
Recent developments in actinide–ligand multiple bonding
journal, January 2013
- Hayton, Trevor W.
- Chemical Communications, Vol. 49, Issue 29
The Renaissance of Non-Aqueous Uranium Chemistry
journal, June 2015
- Liddle, Stephen T.
- Angewandte Chemie International Edition, Vol. 54, Issue 30
A fast and robust algorithm for Bader decomposition of charge density
journal, June 2006
- Henkelman, Graeme; Arnaldsson, Andri; Jónsson, Hannes
- Computational Materials Science, Vol. 36, Issue 3
Synthesis and Properties of a Fifteen-Coordinate Complex: The Thorium Aminodiboranate [Th(H3BNMe2BH3)4]
journal, March 2010
- Daly, Scott R.; Piccoli, Paula M. B.; Schultz, Arthur J.
- Angewandte Chemie International Edition, Vol. 49, Issue 19
Covalency in f-element complexes
journal, January 2013
- Neidig, Michael L.; Clark, David L.; Martin, Richard L.
- Coordination Chemistry Reviews, Vol. 257, Issue 2
Bent cis d0 MoO22+ vs. linear trans d0f0 UO22+: a significant role for nonvalence 6p orbitals in uranyl
journal, September 1980
- Tatsumi, Kazuyuki; Hoffmann, Roald
- Inorganic Chemistry, Vol. 19, Issue 9
Reliable Potential Energy Surfaces for the Reactions of H 2 O with ThO 2 , PaO 2 + , UO 2 2+ , and UO 2 +
journal, November 2015
- Vasiliu, Monica; Peterson, Kirk A.; Gibson, John K.
- The Journal of Physical Chemistry A, Vol. 119, Issue 46
Clusters of Actinides with Oxide, Peroxide, or Hydroxide Bridges
journal, October 2012
- Qiu, Jie; Burns, Peter C.
- Chemical Reviews, Vol. 113, Issue 2
The Preparation of Some Protactinium Compounds and the Metal 1
journal, December 1954
- Sellers, Philip A.; Fried, Sherman; Elson, Robert E.
- Journal of the American Chemical Society, Vol. 76, Issue 23
NBO 6.0 : Natural bond orbital analysis program
journal, March 2013
- Glendening, Eric D.; Landis, Clark R.; Weinhold, Frank
- Journal of Computational Chemistry, Vol. 34, Issue 16
Does Covalency Increase or Decrease across the Actinide Series? Implications for Minor Actinide Partitioning
journal, June 2012
- Kaltsoyannis, Nikolas
- Inorganic Chemistry, Vol. 52, Issue 7
Theoretical Studies on Hexanuclear Oxometalates [M 6 L 19 ] q − (M = Cr, Mo, W, Sg, Nd, U). Electronic Structures, Oxidation States, Aromaticity, and Stability
journal, July 2015
- Jiang, Ning; Schwarz, W. H. Eugen; Li, Jun
- Inorganic Chemistry, Vol. 54, Issue 15
Covalency in the uranyl ion: A polarized x-ray spectroscopic study
journal, November 2002
- Denning, R. G.; Green, J. C.; Hutchings, T. E.
- The Journal of Chemical Physics, Vol. 117, Issue 17
Isolation and characterization of a uranium(VI)–nitride triple bond
journal, May 2013
- King, David M.; Tuna, Floriana; McInnes, Eric J. L.
- Nature Chemistry, Vol. 5, Issue 6
Synthesis, Structure, and Reactivity of a Tetranuclear Cerium(IV) Oxo Cluster Supported by the Kläui Tripodal Ligand [Co(η 5 -C 5 H 5 ){P(O)(OEt) 2 } 3 ] −
journal, September 2015
- Wang, Guo-Cang; So, Yat-Ming; Wong, Kang-Long
- Chemistry - A European Journal, Vol. 21, Issue 45
Structural and Spectroscopic Studies of Fluoroprotactinates
journal, January 2014
- De Sio, Stéphanie M.; Wilson, Richard E.
- Inorganic Chemistry, Vol. 53, Issue 3
Towards a first principles prediction of p K a : COSMO-RS and the cluster-continuum approach
journal, February 2010
- Eckert, Frank; Diedenhofen, Michael; Klamt, Andreas
- Molecular Physics, Vol. 108, Issue 3-4
Valence basis sets for relativistic energy-consistent small-core actinide pseudopotentials
journal, January 2003
- Cao, Xiaoyan; Dolg, Michael; Stoll, Hermann
- The Journal of Chemical Physics, Vol. 118, Issue 2
Synthesis and Structure of a Terminal Uranium Nitride Complex
journal, June 2012
- King, D. M.; Tuna, F.; McInnes, E. J. L.
- Science, Vol. 337, Issue 6095
Segmented contraction scheme for small-core actinide pseudopotential basis sets
journal, March 2004
- Cao, Xiaoyan; Dolg, Michael
- Journal of Molecular Structure: THEOCHEM, Vol. 673, Issue 1-3
All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119
journal, March 2005
- Lim, Ivan S.; Schwerdtfeger, Peter; Metz, Bernhard
- The Journal of Chemical Physics, Vol. 122, Issue 10
Synthesis and Characterization of a Uranium(II) Monoarene Complex Supported by δ Backbonding
journal, May 2014
- La Pierre, Henry S.; Scheurer, Andreas; Heinemann, Frank W.
- Angewandte Chemie, Vol. 126, Issue 28
Multinuclear NMR Investigations of the Oxygen, Water, and Hydroxyl Environments in Sodium Hexaniobate
journal, July 2004
- Alam, Todd M.; Nyman, May; Cherry, Brian R.
- ChemInform, Vol. 35, Issue 28
First Structural Characterization of a Protactinium(V) Single Oxo Bond in Aqueous Media.
journal, February 2006
- Le Naour, Claire; Trubert, Didier; Di Giandomenico, Maria V.
- ChemInform, Vol. 37, Issue 9
Taking a snapshot of the triplet excited state of an OLED organometallic luminophore using X-rays
journal, May 2020
- Smolentsev, Grigory; Milne, Christopher J.; Guda, Alexander
- Nature Communications, Vol. 11, Issue 1
Synthesis and Structural Characterization of the First Uranium Cluster Containing an Isopolyoxometalate Core
journal, September 2001
- Duval, Paul B.; Burns, Carol J.; Clark, David L.
- Angewandte Chemie, Vol. 113, Issue 18
Synthesis and Properties of a Fifteen-Coordinate Complex: The Thorium Aminodiboranate [Th(H3BNMe2BH3)4]
journal, March 2010
- Daly, Scott R.; Piccoli, Paula M. B.; Schultz, Arthur J.
- Angewandte Chemie, Vol. 122, Issue 19
Synthesis and Characterization of a Uranium(II) Monoarene Complex Supported by δ Backbonding
journal, May 2014
- La Pierre, Henry S.; Scheurer, Andreas; Heinemann, Frank W.
- Angewandte Chemie, Vol. 126, Issue 28
Synthesis and Properties of a Fifteen-Coordinate Complex: The Thorium Aminodiboranate [Th(H3BNMe2BH3)4]
journal, March 2010
- Daly, Scott R.; Piccoli, Paula M. B.; Schultz, Arthur J.
- Angewandte Chemie International Edition, Vol. 49, Issue 19
The Renaissance of Non-Aqueous Uranium Chemistry
journal, June 2015
- Liddle, Stephen T.
- Angewandte Chemie International Edition, Vol. 54, Issue 30
A Rare Tetranuclear Thorium(IV) μ 4 -Oxo Cluster and Dinuclear Thorium(IV) Complex Assembled by Carbon-Oxygen Bond Activation of 1,2-Dimethoxyethane (DME)
journal, November 2014
- Travia, Nicholas E.; Scott, Brian L.; Kiplinger, Jaqueline L.
- Chemistry - A European Journal, Vol. 20, Issue 51
ChemInform Abstract: Does Covalency Increase or Decrease Across the Actinide Series? Implications for Minor Actinide Partitioning.
journal, April 2013
- Kaltsoyannis, Nikolas
- ChemInform, Vol. 44, Issue 20
NBO 6.0 : Natural bond orbital analysis program
journal, March 2013
- Glendening, Eric D.; Landis, Clark R.; Weinhold, Frank
- Journal of Computational Chemistry, Vol. 34, Issue 16
Investigations on the E/Z-isomerism of neonicotinoids
journal, July 2020
- Schindler, Michael
- Journal of Computer-Aided Molecular Design, Vol. 35, Issue 4
Peroxo complexes of niobium(V) and tantalum(V)
journal, October 2006
- Bayot, D.; Devillers, M.
- Coordination Chemistry Reviews, Vol. 250, Issue 19-20
Covalency in f-element complexes
journal, January 2013
- Neidig, Michael L.; Clark, David L.; Martin, Richard L.
- Coordination Chemistry Reviews, Vol. 257, Issue 2
Segmented contraction scheme for small-core actinide pseudopotential basis sets
journal, March 2004
- Cao, Xiaoyan; Dolg, Michael
- Journal of Molecular Structure: THEOCHEM, Vol. 673, Issue 1-3
Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex
journal, May 2016
- So, Yat-Ming; Li, Yang; Au-Yeung, Ka-Chun
- Inorganic Chemistry, Vol. 55, Issue 20
Reliable Potential Energy Surfaces for the Reactions of H 2 O with ThO 2 , PaO 2 + , UO 2 2+ , and UO 2 +
journal, November 2015
- Vasiliu, Monica; Peterson, Kirk A.; Gibson, John K.
- The Journal of Physical Chemistry A, Vol. 119, Issue 46
Clusters of Actinides with Oxide, Peroxide, or Hydroxide Bridges
journal, October 2012
- Qiu, Jie; Burns, Peter C.
- Chemical Reviews, Vol. 113, Issue 2
First Structural Characterization of a Protactinium(V) Single Oxo Bond in Aqueous Media
journal, December 2005
- Le Naour, Claire; Trubert, Didier; Di Giandomenico, Maria V.
- Inorganic Chemistry, Vol. 44, Issue 25
Does Covalency Increase or Decrease across the Actinide Series? Implications for Minor Actinide Partitioning
journal, June 2012
- Kaltsoyannis, Nikolas
- Inorganic Chemistry, Vol. 52, Issue 7
Structural and Spectroscopic Studies of Fluoroprotactinates
journal, January 2014
- De Sio, Stéphanie M.; Wilson, Richard E.
- Inorganic Chemistry, Vol. 53, Issue 3
Bent cis d0 MoO22+ vs. linear trans d0f0 UO22+: a significant role for nonvalence 6p orbitals in uranyl
journal, September 1980
- Tatsumi, Kazuyuki; Hoffmann, Roald
- Inorganic Chemistry, Vol. 19, Issue 9
The Preparation of Some Protactinium Compounds and the Metal 1
journal, December 1954
- Sellers, Philip A.; Fried, Sherman; Elson, Robert E.
- Journal of the American Chemical Society, Vol. 76, Issue 23
Harnessing redox activity for the formation of uranium tris(imido) compounds
journal, July 2014
- Anderson, Nickolas H.; Odoh, Samuel O.; Yao, Yiyi
- Nature Chemistry, Vol. 6, Issue 10
Structural dynamics of basaltic melt at mantle conditions with implications for magma oceans and superplumes
journal, September 2020
- Majumdar, Arnab; Wu, Min; Pan, Yuanming
- Nature Communications, Vol. 11, Issue 1
Recent developments in actinide–ligand multiple bonding
journal, January 2013
- Hayton, Trevor W.
- Chemical Communications, Vol. 49, Issue 29
Quantification of f-element covalency through analysis of the electron density: insights from simulation
journal, January 2017
- Kerridge, A.
- Chemical Communications, Vol. 53, Issue 50
Crystal structure of bis(tetraethylammonium) oxopentachloroprotactinate(V)
journal, January 1972
- Brown, D.; Reynolds, C. T.; Moseley, P. T.
- Journal of the Chemical Society, Dalton Transactions, Issue 7
Valence basis sets for relativistic energy-consistent small-core actinide pseudopotentials
journal, January 2003
- Cao, Xiaoyan; Dolg, Michael; Stoll, Hermann
- The Journal of Chemical Physics, Vol. 118, Issue 2
All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119
journal, March 2005
- Lim, Ivan S.; Schwerdtfeger, Peter; Metz, Bernhard
- The Journal of Chemical Physics, Vol. 122, Issue 10
Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y–Pd
journal, March 2007
- Peterson, Kirk A.; Figgen, Detlev; Dolg, Michael
- The Journal of Chemical Physics, Vol. 126, Issue 12
Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf–Pt
journal, April 2009
- Figgen, Detlev; Peterson, Kirk A.; Dolg, Michael
- The Journal of Chemical Physics, Vol. 130, Issue 16
Toward reliable density functional methods without adjustable parameters: The PBE0 model
journal, April 1999
- Adamo, Carlo; Barone, Vincenzo
- The Journal of Chemical Physics, Vol. 110, Issue 13
Towards a first principles prediction of p K a : COSMO-RS and the cluster-continuum approach
journal, February 2010
- Eckert, Frank; Diedenhofen, Michael; Klamt, Andreas
- Molecular Physics, Vol. 108, Issue 3-4
Synthesis of Imido Analogs of the Uranyl Ion
journal, December 2005
- Hayton, T. W.
- Science, Vol. 310, Issue 5756
Works referencing / citing this record:
Relativistic quantum chemical calculations show that the uranium molecule U2 has a quadruple bond
journal, October 2018
- Knecht, Stefan; Jensen, Hans Jørgen Aa.; Saue, Trond
- Nature Chemistry, Vol. 11, Issue 1
Theoretical studies on the oxidation states and electronic structures of actinide-borides: AnB 12 (An = Th–Cm) clusters
journal, January 2018
- Hu, Shu-Xian; Chen, Mingyang; Ao, Bingyun
- Physical Chemistry Chemical Physics, Vol. 20, Issue 37
Carbon monoxide activation by atomic thorium: ground and excited state reaction pathways
journal, January 2019
- Ariyarathna, Isuru R.; Miliordos, Evangelos
- Physical Chemistry Chemical Physics, Vol. 21, Issue 44
Theoretical prediction of some layered Pa 2 O 5 phases: structure and properties
journal, January 2019
- Liu, Tao; Li, Shichang; Gao, Tao
- RSC Advances, Vol. 9, Issue 54
New Strategies in Modeling Electronic Structures and Properties with Applications to Actinides
text, January 2019
- Leszczyk, Aleksandra; Tecmer, Paweł; Boguslawski, Katharina
- arXiv