Synthesis, photophysics and theoretical ab initio calculations of a bizwitterionic compound modeling the phototautomer of bipyridyl-diol

P. Borowicz; A. Grabowska; Kaczmarek; A. Leś; L. Adamowicz

doi:10.1016/0009-2614(95)00477-L

Synthesis, photophysics and theoretical ab initio calculations of a bizwitterionic compound modeling the phototautomer of bipyridyl-diol

P. Borowicz
, A. Grabowska
, Kaczmarek
, A. Leś
, L. Adamowicz

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

A new compound, 3-hydroxy-1,1′-dimethyl-3-oxido-[2,2′-bipyridinedium]hydroxide hydrate (1,1′-dimethyl-3,3′-dioxido[2,2′-bipyridinedium] - DDB), was synthesized as a model of the transient product of the excited state intramolecular proton transfer (ESIPT) reaction (excited phototautomer) of bipyridyl-diol (BP(OH)₂). The photophysics and quantum chemical ab initio calculations of DDB are reported. The results confirm the zwitterionic character of the excited phototautomer of BP(OH)₂.

Original language	English (US)
Pages (from-to)	282-289
Number of pages	8
Journal	Chemical Physics Letters
Volume	239
Issue number	4-6
DOIs	https://doi.org/10.1016/0009-2614(95)00477-L
State	Published - Jun 16 1995
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(95)00477-L

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@article{d0b44937ed3b4878a7e0ddc29a98852f,

title = "Synthesis, photophysics and theoretical ab initio calculations of a bizwitterionic compound modeling the phototautomer of bipyridyl-diol",

abstract = "A new compound, 3-hydroxy-1,1′-dimethyl-3-oxido-[2,2′-bipyridinedium]hydroxide hydrate (1,1′-dimethyl-3,3′-dioxido[2,2′-bipyridinedium] - DDB), was synthesized as a model of the transient product of the excited state intramolecular proton transfer (ESIPT) reaction (excited phototautomer) of bipyridyl-diol (BP(OH)2). The photophysics and quantum chemical ab initio calculations of DDB are reported. The results confirm the zwitterionic character of the excited phototautomer of BP(OH)2.",

author = "P. Borowicz and A. Grabowska and Kaczmarek and A. Le{\'s} and L. Adamowicz",

note = "Funding Information: This work was partly supported by KBN (Poland) under research projects: 2P303.111.04 and 2 2605 91 02. AL was partly supported by KBN under project BST-472/23. LA was partly supported by DoE grant No. DEFG0393ER61605.",

year = "1995",

month = jun,

day = "16",

doi = "10.1016/0009-2614(95)00477-L",

language = "English (US)",

volume = "239",

pages = "282--289",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "4-6",

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TY - JOUR

T1 - Synthesis, photophysics and theoretical ab initio calculations of a bizwitterionic compound modeling the phototautomer of bipyridyl-diol

AU - Borowicz, P.

AU - Grabowska, A.

AU - Kaczmarek,

AU - Leś, A.

AU - Adamowicz, L.

N1 - Funding Information: This work was partly supported by KBN (Poland) under research projects: 2P303.111.04 and 2 2605 91 02. AL was partly supported by KBN under project BST-472/23. LA was partly supported by DoE grant No. DEFG0393ER61605.

PY - 1995/6/16

Y1 - 1995/6/16

N2 - A new compound, 3-hydroxy-1,1′-dimethyl-3-oxido-[2,2′-bipyridinedium]hydroxide hydrate (1,1′-dimethyl-3,3′-dioxido[2,2′-bipyridinedium] - DDB), was synthesized as a model of the transient product of the excited state intramolecular proton transfer (ESIPT) reaction (excited phototautomer) of bipyridyl-diol (BP(OH)2). The photophysics and quantum chemical ab initio calculations of DDB are reported. The results confirm the zwitterionic character of the excited phototautomer of BP(OH)2.

AB - A new compound, 3-hydroxy-1,1′-dimethyl-3-oxido-[2,2′-bipyridinedium]hydroxide hydrate (1,1′-dimethyl-3,3′-dioxido[2,2′-bipyridinedium] - DDB), was synthesized as a model of the transient product of the excited state intramolecular proton transfer (ESIPT) reaction (excited phototautomer) of bipyridyl-diol (BP(OH)2). The photophysics and quantum chemical ab initio calculations of DDB are reported. The results confirm the zwitterionic character of the excited phototautomer of BP(OH)2.

UR - https://www.scopus.com/pages/publications/0000449907

UR - https://www.scopus.com/pages/publications/0000449907#tab=citedBy

U2 - 10.1016/0009-2614(95)00477-L

DO - 10.1016/0009-2614(95)00477-L

M3 - Article

AN - SCOPUS:0000449907

SN - 0009-2614

VL - 239

SP - 282

EP - 289

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4-6

ER -

Synthesis, photophysics and theoretical ab initio calculations of a bizwitterionic compound modeling the phototautomer of bipyridyl-diol

Abstract

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