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    Rights statement: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © 2018 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.inorgchem.8b00077

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Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4, M = Ti, Zr, Hf, Th, U, Np

Research output: Contribution to Journal/Magazine › Journal article › peer-review

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Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4, M = Ti, Zr, Hf, Th, U, Np. / Behrle, Andrew; Myers, A; Rungthanaphatsophon, Pokpong et al.
In: Inorganic Chemistry, Vol. 57, No. 17, 2018, p. 10518-10524.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Behrle, A, Myers, A, Rungthanaphatsophon, P, Kerridge, A & Walensky, J 2018, 'Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4, M = Ti, Zr, Hf, Th, U, Np', Inorganic Chemistry, vol. 57, no. 17, pp. 10518-10524. https://doi.org/10.1021/acs.inorgchem.8b00077

APA

Behrle, A., Myers, A., Rungthanaphatsophon, P., Kerridge, A., & Walensky, J. (2018). Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4, M = Ti, Zr, Hf, Th, U, Np. Inorganic Chemistry, 57(17), 10518-10524. https://doi.org/10.1021/acs.inorgchem.8b00077

Vancouver

Behrle A, Myers A, Rungthanaphatsophon P, Kerridge A, Walensky J. Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4, M = Ti, Zr, Hf, Th, U, Np. Inorganic Chemistry. 2018;57(17):10518-10524. doi: 10.1021/acs.inorgchem.8b00077

Author

Behrle, Andrew ; Myers, A ; Rungthanaphatsophon, Pokpong et al. / Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4, M = Ti, Zr, Hf, Th, U, Np. In: Inorganic Chemistry. 2018 ; Vol. 57, No. 17. pp. 10518-10524.

Bibtex

@article{fbc36da5f0164c23b03aac3345fd7261,
title = "Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4, M = Ti, Zr, Hf, Th, U, Np",
abstract = "In a systematic approach to comparing the molecular structure and bonding in homoleptic transition-metal and actinide complexes, a series of dithiocarbamates, M(S2CNiPr2)4 (M = Ti, Zr, Hf, Th, U, Np), have been synthesized. These complexes have been characterized through spectroscopic and X-ray crystallographic analysis, and their bonding has been examined using density functional theory calculations. Computational results indicate that the covalent character associatedSave with the M-S bonds shows the trend of Hf < Zr < Th < Ti < U ≈ Np. {\textcopyright} 2018 American Chemical Society.",
author = "Andrew Behrle and A Myers and Pokpong Rungthanaphatsophon and Andrew Kerridge and Justin Walensky",
note = "This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright {\textcopyright} 2018 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.inorgchem.8b00077 ",
year = "2018",
doi = "10.1021/acs.inorgchem.8b00077",
language = "English",
volume = "57",
pages = "10518--10524",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "17",

}

RIS

TY - JOUR

T1 - Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4, M = Ti, Zr, Hf, Th, U, Np

AU - Behrle, Andrew

AU - Myers, A

AU - Rungthanaphatsophon, Pokpong

AU - Kerridge, Andrew

AU - Walensky, Justin

N1 - This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © 2018 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.inorgchem.8b00077

PY - 2018

Y1 - 2018

N2 - In a systematic approach to comparing the molecular structure and bonding in homoleptic transition-metal and actinide complexes, a series of dithiocarbamates, M(S2CNiPr2)4 (M = Ti, Zr, Hf, Th, U, Np), have been synthesized. These complexes have been characterized through spectroscopic and X-ray crystallographic analysis, and their bonding has been examined using density functional theory calculations. Computational results indicate that the covalent character associatedSave with the M-S bonds shows the trend of Hf < Zr < Th < Ti < U ≈ Np. © 2018 American Chemical Society.

AB - In a systematic approach to comparing the molecular structure and bonding in homoleptic transition-metal and actinide complexes, a series of dithiocarbamates, M(S2CNiPr2)4 (M = Ti, Zr, Hf, Th, U, Np), have been synthesized. These complexes have been characterized through spectroscopic and X-ray crystallographic analysis, and their bonding has been examined using density functional theory calculations. Computational results indicate that the covalent character associatedSave with the M-S bonds shows the trend of Hf < Zr < Th < Ti < U ≈ Np. © 2018 American Chemical Society.

U2 - 10.1021/acs.inorgchem.8b00077

DO - 10.1021/acs.inorgchem.8b00077

M3 - Journal article

VL - 57

SP - 10518

EP - 10524

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 17

ER -