From owner-chemistry@ccl.net Sat Mar 19 10:27:01 2016 From: "Jens Spanget-Larsen spanget~~ruc.dk" To: CCL Subject: CCL: SV: Number of proton transfer in 1,5 dihydroxy anthraquinone in ground state Message-Id: <-52120-160319102617-32038-zulzl8MTDuZti79HHAeZdw{}server.ccl.net> X-Original-From: Jens Spanget-Larsen Content-Language: da-DK Content-Type: multipart/alternative; boundary="_000_A94E15A372E6194CA8719D62642F67448B9FDA6BMBX1adrucdk_" Date: Sat, 19 Mar 2016 14:26:08 +0000 MIME-Version: 1.0 Sent to CCL by: Jens Spanget-Larsen [spanget]![ruc.dk] --_000_A94E15A372E6194CA8719D62642F67448B9FDA6BMBX1adrucdk_ Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Dear Partha: Some time ago we investigated the UV-VIS polarization spectra of the three = symmetrical dihydroxyanthraquinones, including anthrarufin =3D 1,5-dihydrox= y-9,10-anthraquinone. We did not find any evidence for the presence of taut= omers or rotamers. see: Nguyen et al., Spectrochimica Acta Part A 77 (2010)= 270-286. Yours sincerely, Jens >--< ------------------------------------------------------ JENS SPANGET-LARSEN Office: +45 4674 2710 Dept. of Science Fax: +45 4674 3011 Roskilde University Mobile: +45 2320 6246 P.O.Box 260 E-Mail: spanget,,ruc.dk DK-4000 Roskilde, Denmark http://www.ruc.dk/~spanget ------------------------------------------------------ ________________________________ Fra: owner-chemistry+spanget=3D=3Druc.dk,,ccl.net [owner-chemistry+spanget= =3D=3Druc.dk,,ccl.net] p=E5 vegne af Partha Sengupta anapspsmo:_:gmail.com [= owner-chemistry,,ccl.net] Sendt: 18. marts 2016 19:22 Til: Jens Spanget-Larsen Emne: CCL: Number of proton transfer in 1,5 dihydroxy anthraquinone in grou= nd state Friends, I am in doubt about the number of proton transferred in 1,5 dihyd= roxy anthraquinone. Does both the proton being transferred to form 9,10 dih= ydroxy 1,5 anthraquinone? Does only one proton being transferred ? DFT calc= ulation and published references are contradictory. Please advise. Partha -- Dr. Partha Sarathi Sengupta Associate Professor Vivekananda Mahavidyalaya, Burdwan --_000_A94E15A372E6194CA8719D62642F67448B9FDA6BMBX1adrucdk_ Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable

Dear Partha:

 

Some time ago we investigated the UV-VIS polarization spectra of&nb= sp;the three symmetrical dihydroxyanthraquinones, including anthrarufin =3D= 1,5-dihydroxy-9,10-anthraquinone. We did not find any evidence f= or the presence of tautomers or rotamers. see: Nguyen et al., Spectrochimica Acta Part A 77 (2010) 270-286.

 

Yours sincerely,

Jens >--<

 

  --------------= ----------------------------------------

  JENS SPANGET-LARSEN   &= nbsp;     Office:      +45= 4674 2710

  Dept. of Science   &nbs= p;        Fax:     &= nbsp;   +45 4674 3011

  Roskilde University   &= nbsp;     Mobile:      +45= 2320 6246

  P.O.Box 260    &nb= sp;            E-Mai= l:     spanget,,ruc.dk

  DK-4000 Roskilde, Denmark   = http://www.ruc.dk/~spanget

  --------------------------------------= ----------------

 

Fra: owner-chemistry+spanget=3D=3Druc.= dk,,ccl.net [owner-chemistry+spanget=3D=3Druc.dk,,ccl.net] p=E5 vegne af = Partha Sengupta anapspsmo:_:gmail.com [owner-chemistry,,ccl.net]
Sendt: 18. marts 2016 19:22
Til: Jens Spanget-Larsen
Emne: CCL: Number of proton transfer in 1,5 dihydroxy anthraquinone = in ground state

Friends, I am in doubt about the number of proton transferred  in= 1,5 dihydroxy anthraquinone. Does both the proton being transferred to for= m 9,10 dihydroxy 1,5 anthraquinone? Does only one proton being transferred = ? DFT calculation and published references are contradictory.
Please advise.
Partha

--
Dr. Partha Sarathi Sengupta
Associate Professor
Vivekananda Mahavidyalaya, Burdwan
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