Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with

Extraction of uranium from nuclear wastes is of great significance, and nowadays has attracted much attention. In the present work, the thermodynamics, complex geometries and coordination mode of UO2(NO3)2 with N-methyl-N-decyl-octanamide and its amides in aqueous solutions were investigated detaile...
Ausführliche Beschreibung

Gespeichert in:

Autor*in:	Cheng, Xueli [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2017

Schlagwörter:	U(VI) M06-2X Extraction

Übergeordnetes Werk:	Enthalten in: The journal of chemical thermodynamics - London : Academic Press, 1969, 132, Seite 470-475
Übergeordnetes Werk:	volume:132 ; pages:470-475

DOI / URN:	10.1016/j.jct.2017.11.001

Katalog-ID:	ELV00178434X

Internformat


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100	1		\|a Cheng, Xueli \|e verfasserin \|0 (orcid)0000-0002-1795-309X \|4 aut
245	1	0	\|a Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with
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520			\|a Extraction of uranium from nuclear wastes is of great significance, and nowadays has attracted much attention. In the present work, the thermodynamics, complex geometries and coordination mode of UO2(NO3)2 with N-methyl-N-decyl-octanamide and its amides in aqueous solutions were investigated detailedly with M06-2X method. This theoretical model reveals that: 1) In UO2(NO3)2, there is a strong ionic interaction between the two NO3 − ligands; 2) For the complexes of UO2(NO3)2 with amides, the ligands coordinate to the vacancy of UO2(NO3)2 via the mono-dentate mode; 3) The hydrophobic interactions compete with the steric effect, and the most stable complexes bear hydrophobic interactions between the parallel long-chain alkyl groups; 4) Long substituent and strong hydrophobic interactions help extraction of uranium(VI) from aqueous nitric acid solutions.
650		4	\|a U(VI)
650		4	\|a M06-2X
650		4	\|a Extraction
773	0	8	\|i Enthalten in \|t The journal of chemical thermodynamics \|d London : Academic Press, 1969 \|g 132, Seite 470-475 \|h Online-Ressource \|w (DE-627)266891039 \|w (DE-600)1469011-1 \|w (DE-576)103373152 \|x 0021-9614 \|7 nnns
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912			\|a GBV_ILN_702
912			\|a GBV_ILN_2001
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912			\|a GBV_ILN_2004
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912			\|a GBV_ILN_2044
912			\|a GBV_ILN_2048
912			\|a GBV_ILN_2049
912			\|a GBV_ILN_2050
912			\|a GBV_ILN_2055
912			\|a GBV_ILN_2056
912			\|a GBV_ILN_2059
912			\|a GBV_ILN_2061
912			\|a GBV_ILN_2064
912			\|a GBV_ILN_2065
912			\|a GBV_ILN_2068
912			\|a GBV_ILN_2070
912			\|a GBV_ILN_2086
912			\|a GBV_ILN_2098
912			\|a GBV_ILN_2106
912			\|a GBV_ILN_2108
912			\|a GBV_ILN_2111
912			\|a GBV_ILN_2112
912			\|a GBV_ILN_2113
912			\|a GBV_ILN_2116
912			\|a GBV_ILN_2118
912			\|a GBV_ILN_2119
912			\|a GBV_ILN_2122
912			\|a GBV_ILN_2129
912			\|a GBV_ILN_2143
912			\|a GBV_ILN_2144
912			\|a GBV_ILN_2147
912			\|a GBV_ILN_2148
912			\|a GBV_ILN_2152
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912			\|a GBV_ILN_2232
912			\|a GBV_ILN_2336
912			\|a GBV_ILN_2507
912			\|a GBV_ILN_2522
912			\|a GBV_ILN_4035
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912			\|a GBV_ILN_4323
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912			\|a GBV_ILN_4333
912			\|a GBV_ILN_4334
912			\|a GBV_ILN_4335
912			\|a GBV_ILN_4338
912			\|a GBV_ILN_4393
936	b	k	\|a 35.00 \|j Chemie: Allgemeines
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952			\|d 132 \|h 470-475

Indexfelder

author_variant	x c xc
matchkey_str	article:00219614:2017----::tutrsodnadhroyaisfxrcigvfoauos
hierarchy_sort_str	2017
bklnumber	35.00
publishDate	2017
allfields	10.1016/j.jct.2017.11.001 doi (DE-627)ELV00178434X (ELSEVIER)S0021-9614(17)30385-3 DE-627 ger DE-627 rda eng 540 DE-600 35.00 bkl Cheng, Xueli verfasserin (orcid)0000-0002-1795-309X aut Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with 2017 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Extraction of uranium from nuclear wastes is of great significance, and nowadays has attracted much attention. In the present work, the thermodynamics, complex geometries and coordination mode of UO2(NO3)2 with N-methyl-N-decyl-octanamide and its amides in aqueous solutions were investigated detailedly with M06-2X method. This theoretical model reveals that: 1) In UO2(NO3)2, there is a strong ionic interaction between the two NO3 − ligands; 2) For the complexes of UO2(NO3)2 with amides, the ligands coordinate to the vacancy of UO2(NO3)2 via the mono-dentate mode; 3) The hydrophobic interactions compete with the steric effect, and the most stable complexes bear hydrophobic interactions between the parallel long-chain alkyl groups; 4) Long substituent and strong hydrophobic interactions help extraction of uranium(VI) from aqueous nitric acid solutions. U(VI) M06-2X Extraction Enthalten in The journal of chemical thermodynamics London : Academic Press, 1969 132, Seite 470-475 Online-Ressource (DE-627)266891039 (DE-600)1469011-1 (DE-576)103373152 0021-9614 nnns volume:132 pages:470-475 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2098 GBV_ILN_2106 GBV_ILN_2108 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 35.00 Chemie: Allgemeines AR 132 470-475
spelling	10.1016/j.jct.2017.11.001 doi (DE-627)ELV00178434X (ELSEVIER)S0021-9614(17)30385-3 DE-627 ger DE-627 rda eng 540 DE-600 35.00 bkl Cheng, Xueli verfasserin (orcid)0000-0002-1795-309X aut Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with 2017 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Extraction of uranium from nuclear wastes is of great significance, and nowadays has attracted much attention. In the present work, the thermodynamics, complex geometries and coordination mode of UO2(NO3)2 with N-methyl-N-decyl-octanamide and its amides in aqueous solutions were investigated detailedly with M06-2X method. This theoretical model reveals that: 1) In UO2(NO3)2, there is a strong ionic interaction between the two NO3 − ligands; 2) For the complexes of UO2(NO3)2 with amides, the ligands coordinate to the vacancy of UO2(NO3)2 via the mono-dentate mode; 3) The hydrophobic interactions compete with the steric effect, and the most stable complexes bear hydrophobic interactions between the parallel long-chain alkyl groups; 4) Long substituent and strong hydrophobic interactions help extraction of uranium(VI) from aqueous nitric acid solutions. U(VI) M06-2X Extraction Enthalten in The journal of chemical thermodynamics London : Academic Press, 1969 132, Seite 470-475 Online-Ressource (DE-627)266891039 (DE-600)1469011-1 (DE-576)103373152 0021-9614 nnns volume:132 pages:470-475 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2098 GBV_ILN_2106 GBV_ILN_2108 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 35.00 Chemie: Allgemeines AR 132 470-475
allfields_unstemmed	10.1016/j.jct.2017.11.001 doi (DE-627)ELV00178434X (ELSEVIER)S0021-9614(17)30385-3 DE-627 ger DE-627 rda eng 540 DE-600 35.00 bkl Cheng, Xueli verfasserin (orcid)0000-0002-1795-309X aut Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with 2017 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Extraction of uranium from nuclear wastes is of great significance, and nowadays has attracted much attention. In the present work, the thermodynamics, complex geometries and coordination mode of UO2(NO3)2 with N-methyl-N-decyl-octanamide and its amides in aqueous solutions were investigated detailedly with M06-2X method. This theoretical model reveals that: 1) In UO2(NO3)2, there is a strong ionic interaction between the two NO3 − ligands; 2) For the complexes of UO2(NO3)2 with amides, the ligands coordinate to the vacancy of UO2(NO3)2 via the mono-dentate mode; 3) The hydrophobic interactions compete with the steric effect, and the most stable complexes bear hydrophobic interactions between the parallel long-chain alkyl groups; 4) Long substituent and strong hydrophobic interactions help extraction of uranium(VI) from aqueous nitric acid solutions. U(VI) M06-2X Extraction Enthalten in The journal of chemical thermodynamics London : Academic Press, 1969 132, Seite 470-475 Online-Ressource (DE-627)266891039 (DE-600)1469011-1 (DE-576)103373152 0021-9614 nnns volume:132 pages:470-475 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2098 GBV_ILN_2106 GBV_ILN_2108 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 35.00 Chemie: Allgemeines AR 132 470-475
allfieldsGer	10.1016/j.jct.2017.11.001 doi (DE-627)ELV00178434X (ELSEVIER)S0021-9614(17)30385-3 DE-627 ger DE-627 rda eng 540 DE-600 35.00 bkl Cheng, Xueli verfasserin (orcid)0000-0002-1795-309X aut Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with 2017 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Extraction of uranium from nuclear wastes is of great significance, and nowadays has attracted much attention. In the present work, the thermodynamics, complex geometries and coordination mode of UO2(NO3)2 with N-methyl-N-decyl-octanamide and its amides in aqueous solutions were investigated detailedly with M06-2X method. This theoretical model reveals that: 1) In UO2(NO3)2, there is a strong ionic interaction between the two NO3 − ligands; 2) For the complexes of UO2(NO3)2 with amides, the ligands coordinate to the vacancy of UO2(NO3)2 via the mono-dentate mode; 3) The hydrophobic interactions compete with the steric effect, and the most stable complexes bear hydrophobic interactions between the parallel long-chain alkyl groups; 4) Long substituent and strong hydrophobic interactions help extraction of uranium(VI) from aqueous nitric acid solutions. U(VI) M06-2X Extraction Enthalten in The journal of chemical thermodynamics London : Academic Press, 1969 132, Seite 470-475 Online-Ressource (DE-627)266891039 (DE-600)1469011-1 (DE-576)103373152 0021-9614 nnns volume:132 pages:470-475 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2098 GBV_ILN_2106 GBV_ILN_2108 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 35.00 Chemie: Allgemeines AR 132 470-475
allfieldsSound	10.1016/j.jct.2017.11.001 doi (DE-627)ELV00178434X (ELSEVIER)S0021-9614(17)30385-3 DE-627 ger DE-627 rda eng 540 DE-600 35.00 bkl Cheng, Xueli verfasserin (orcid)0000-0002-1795-309X aut Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with 2017 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Extraction of uranium from nuclear wastes is of great significance, and nowadays has attracted much attention. In the present work, the thermodynamics, complex geometries and coordination mode of UO2(NO3)2 with N-methyl-N-decyl-octanamide and its amides in aqueous solutions were investigated detailedly with M06-2X method. This theoretical model reveals that: 1) In UO2(NO3)2, there is a strong ionic interaction between the two NO3 − ligands; 2) For the complexes of UO2(NO3)2 with amides, the ligands coordinate to the vacancy of UO2(NO3)2 via the mono-dentate mode; 3) The hydrophobic interactions compete with the steric effect, and the most stable complexes bear hydrophobic interactions between the parallel long-chain alkyl groups; 4) Long substituent and strong hydrophobic interactions help extraction of uranium(VI) from aqueous nitric acid solutions. U(VI) M06-2X Extraction Enthalten in The journal of chemical thermodynamics London : Academic Press, 1969 132, Seite 470-475 Online-Ressource (DE-627)266891039 (DE-600)1469011-1 (DE-576)103373152 0021-9614 nnns volume:132 pages:470-475 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2098 GBV_ILN_2106 GBV_ILN_2108 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 35.00 Chemie: Allgemeines AR 132 470-475
language	English
source	Enthalten in The journal of chemical thermodynamics 132, Seite 470-475 volume:132 pages:470-475
sourceStr	Enthalten in The journal of chemical thermodynamics 132, Seite 470-475 volume:132 pages:470-475
format_phy_str_mv	Article
bklname	Chemie: Allgemeines
institution	findex.gbv.de
topic_facet	U(VI) M06-2X Extraction
dewey-raw	540
isfreeaccess_bool	false
container_title	The journal of chemical thermodynamics
authorswithroles_txt_mv	Cheng, Xueli @@aut@@
publishDateDaySort_date	2017-01-01T00:00:00Z
hierarchy_top_id	266891039
dewey-sort	3540
id	ELV00178434X
language_de	englisch
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author	Cheng, Xueli
spellingShingle	Cheng, Xueli ddc 540 bkl 35.00 misc U(VI) misc M06-2X misc Extraction Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with
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topic_title	540 DE-600 35.00 bkl Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with U(VI) M06-2X Extraction
topic	ddc 540 bkl 35.00 misc U(VI) misc M06-2X misc Extraction
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title	Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with
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title_full	Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with
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title_sort	structures, bonding and thermodynamics of extracting u(vi) from aqueous nitric acid solutions with
title_auth	Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with
abstract	Extraction of uranium from nuclear wastes is of great significance, and nowadays has attracted much attention. In the present work, the thermodynamics, complex geometries and coordination mode of UO2(NO3)2 with N-methyl-N-decyl-octanamide and its amides in aqueous solutions were investigated detailedly with M06-2X method. This theoretical model reveals that: 1) In UO2(NO3)2, there is a strong ionic interaction between the two NO3 − ligands; 2) For the complexes of UO2(NO3)2 with amides, the ligands coordinate to the vacancy of UO2(NO3)2 via the mono-dentate mode; 3) The hydrophobic interactions compete with the steric effect, and the most stable complexes bear hydrophobic interactions between the parallel long-chain alkyl groups; 4) Long substituent and strong hydrophobic interactions help extraction of uranium(VI) from aqueous nitric acid solutions.
abstractGer	Extraction of uranium from nuclear wastes is of great significance, and nowadays has attracted much attention. In the present work, the thermodynamics, complex geometries and coordination mode of UO2(NO3)2 with N-methyl-N-decyl-octanamide and its amides in aqueous solutions were investigated detailedly with M06-2X method. This theoretical model reveals that: 1) In UO2(NO3)2, there is a strong ionic interaction between the two NO3 − ligands; 2) For the complexes of UO2(NO3)2 with amides, the ligands coordinate to the vacancy of UO2(NO3)2 via the mono-dentate mode; 3) The hydrophobic interactions compete with the steric effect, and the most stable complexes bear hydrophobic interactions between the parallel long-chain alkyl groups; 4) Long substituent and strong hydrophobic interactions help extraction of uranium(VI) from aqueous nitric acid solutions.
abstract_unstemmed	Extraction of uranium from nuclear wastes is of great significance, and nowadays has attracted much attention. In the present work, the thermodynamics, complex geometries and coordination mode of UO2(NO3)2 with N-methyl-N-decyl-octanamide and its amides in aqueous solutions were investigated detailedly with M06-2X method. This theoretical model reveals that: 1) In UO2(NO3)2, there is a strong ionic interaction between the two NO3 − ligands; 2) For the complexes of UO2(NO3)2 with amides, the ligands coordinate to the vacancy of UO2(NO3)2 via the mono-dentate mode; 3) The hydrophobic interactions compete with the steric effect, and the most stable complexes bear hydrophobic interactions between the parallel long-chain alkyl groups; 4) Long substituent and strong hydrophobic interactions help extraction of uranium(VI) from aqueous nitric acid solutions.
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title_short	Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with
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up_date	2024-07-06T22:33:46.974Z
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Structures, bonding and thermodynamics of extracting U(VI) from aqueous nitric acid solutions with

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