Structural investigations of Ir pincer complexes relevant to catalytic H2 release from the chemical hydrogen storage material H3BNH3

Travis J. Hebden, Paula M B Piccoli, Thomas F. Koetzle, Arthur J. Schultz, Karen I. Goldberg, D. Michael Heinekey, Thomas J. Emge, Karsten Krogh-Jespersen, Alan S Goldman

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Ammonia borane (AB) is an interesting candidate for chemical hydrogen storage. The complex (POCOP)IrH2 (POCOP = η3-(1,3-OPtBu2)2C6H3) has been shown to be an efficient catalyst for H2 release from AB. Under low H2 pressure a dormant form of the catalyst appears, subsequently identified as (POCOP)Ir(H)2(BH3). This interesting s-bonded BH3 complex has been investigated by a variety of spectroscopic methods, including neutron diffraction analysis. During the course of AB dehydrogenation, the predominant Ir-containing species present in solution is (POCOP)IrH4. The structure of this complex has been investigated using a variety of NMR techniques and IR spectroscopy. We have also studied the structure of the closely related complex (PCP)IrH4 (PCP = η3-(1,3-CH2PtBu2)2C6H3)in solution. The resulting solution data reveal a different arrangement of H atoms around the Ir than a solid-state structure obtained by neutron diffraction analysis.

Original languageEnglish
Title of host publicationACS National Meeting Book of Abstracts
Publication statusPublished - 2009
Event238th National Meeting and Exposition of the American Chemical Society, ACS 2009 - Washington, DC, United States
Duration: Aug 16 2009Aug 20 2009

Other

Other238th National Meeting and Exposition of the American Chemical Society, ACS 2009
CountryUnited States
CityWashington, DC
Period8/16/098/20/09

Fingerprint

Boranes
Hydrogen storage
Ammonia
Neutron diffraction
Catalysts
Dehydrogenation
Infrared spectroscopy
Nuclear magnetic resonance
Atoms

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

Cite this

Hebden, T. J., Piccoli, P. M. B., Koetzle, T. F., Schultz, A. J., Goldberg, K. I., Heinekey, D. M., ... Goldman, A. S. (2009). Structural investigations of Ir pincer complexes relevant to catalytic H2 release from the chemical hydrogen storage material H3BNH3. In ACS National Meeting Book of Abstracts

Structural investigations of Ir pincer complexes relevant to catalytic H2 release from the chemical hydrogen storage material H3BNH3. / Hebden, Travis J.; Piccoli, Paula M B; Koetzle, Thomas F.; Schultz, Arthur J.; Goldberg, Karen I.; Heinekey, D. Michael; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.

ACS National Meeting Book of Abstracts. 2009.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Hebden, TJ, Piccoli, PMB, Koetzle, TF, Schultz, AJ, Goldberg, KI, Heinekey, DM, Emge, TJ, Krogh-Jespersen, K & Goldman, AS 2009, Structural investigations of Ir pincer complexes relevant to catalytic H2 release from the chemical hydrogen storage material H3BNH3. in ACS National Meeting Book of Abstracts. 238th National Meeting and Exposition of the American Chemical Society, ACS 2009, Washington, DC, United States, 8/16/09.
Hebden TJ, Piccoli PMB, Koetzle TF, Schultz AJ, Goldberg KI, Heinekey DM et al. Structural investigations of Ir pincer complexes relevant to catalytic H2 release from the chemical hydrogen storage material H3BNH3. In ACS National Meeting Book of Abstracts. 2009
Hebden, Travis J. ; Piccoli, Paula M B ; Koetzle, Thomas F. ; Schultz, Arthur J. ; Goldberg, Karen I. ; Heinekey, D. Michael ; Emge, Thomas J. ; Krogh-Jespersen, Karsten ; Goldman, Alan S. / Structural investigations of Ir pincer complexes relevant to catalytic H2 release from the chemical hydrogen storage material H3BNH3. ACS National Meeting Book of Abstracts. 2009.
@inproceedings{a82bfd3cedc440e580a2c3c6288e2b12,
title = "Structural investigations of Ir pincer complexes relevant to catalytic H2 release from the chemical hydrogen storage material H3BNH3",
abstract = "Ammonia borane (AB) is an interesting candidate for chemical hydrogen storage. The complex (POCOP)IrH2 (POCOP = η3-(1,3-OPtBu2)2C6H3) has been shown to be an efficient catalyst for H2 release from AB. Under low H2 pressure a dormant form of the catalyst appears, subsequently identified as (POCOP)Ir(H)2(BH3). This interesting s-bonded BH3 complex has been investigated by a variety of spectroscopic methods, including neutron diffraction analysis. During the course of AB dehydrogenation, the predominant Ir-containing species present in solution is (POCOP)IrH4. The structure of this complex has been investigated using a variety of NMR techniques and IR spectroscopy. We have also studied the structure of the closely related complex (PCP)IrH4 (PCP = η3-(1,3-CH2PtBu2)2C6H3)in solution. The resulting solution data reveal a different arrangement of H atoms around the Ir than a solid-state structure obtained by neutron diffraction analysis.",
author = "Hebden, {Travis J.} and Piccoli, {Paula M B} and Koetzle, {Thomas F.} and Schultz, {Arthur J.} and Goldberg, {Karen I.} and Heinekey, {D. Michael} and Emge, {Thomas J.} and Karsten Krogh-Jespersen and Goldman, {Alan S}",
year = "2009",
language = "English",
isbn = "9780841200050",
booktitle = "ACS National Meeting Book of Abstracts",

}

TY - GEN

T1 - Structural investigations of Ir pincer complexes relevant to catalytic H2 release from the chemical hydrogen storage material H3BNH3

AU - Hebden, Travis J.

AU - Piccoli, Paula M B

AU - Koetzle, Thomas F.

AU - Schultz, Arthur J.

AU - Goldberg, Karen I.

AU - Heinekey, D. Michael

AU - Emge, Thomas J.

AU - Krogh-Jespersen, Karsten

AU - Goldman, Alan S

PY - 2009

Y1 - 2009

N2 - Ammonia borane (AB) is an interesting candidate for chemical hydrogen storage. The complex (POCOP)IrH2 (POCOP = η3-(1,3-OPtBu2)2C6H3) has been shown to be an efficient catalyst for H2 release from AB. Under low H2 pressure a dormant form of the catalyst appears, subsequently identified as (POCOP)Ir(H)2(BH3). This interesting s-bonded BH3 complex has been investigated by a variety of spectroscopic methods, including neutron diffraction analysis. During the course of AB dehydrogenation, the predominant Ir-containing species present in solution is (POCOP)IrH4. The structure of this complex has been investigated using a variety of NMR techniques and IR spectroscopy. We have also studied the structure of the closely related complex (PCP)IrH4 (PCP = η3-(1,3-CH2PtBu2)2C6H3)in solution. The resulting solution data reveal a different arrangement of H atoms around the Ir than a solid-state structure obtained by neutron diffraction analysis.

AB - Ammonia borane (AB) is an interesting candidate for chemical hydrogen storage. The complex (POCOP)IrH2 (POCOP = η3-(1,3-OPtBu2)2C6H3) has been shown to be an efficient catalyst for H2 release from AB. Under low H2 pressure a dormant form of the catalyst appears, subsequently identified as (POCOP)Ir(H)2(BH3). This interesting s-bonded BH3 complex has been investigated by a variety of spectroscopic methods, including neutron diffraction analysis. During the course of AB dehydrogenation, the predominant Ir-containing species present in solution is (POCOP)IrH4. The structure of this complex has been investigated using a variety of NMR techniques and IR spectroscopy. We have also studied the structure of the closely related complex (PCP)IrH4 (PCP = η3-(1,3-CH2PtBu2)2C6H3)in solution. The resulting solution data reveal a different arrangement of H atoms around the Ir than a solid-state structure obtained by neutron diffraction analysis.

UR - http://www.scopus.com/inward/record.url?scp=78649765234&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=78649765234&partnerID=8YFLogxK

M3 - Conference contribution

SN - 9780841200050

BT - ACS National Meeting Book of Abstracts

ER -