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Erratum to “On theoretical VCD, IR and Raman spectra of model chiral right-hand trefoil knots” [J. Mol. Struct. 563–564 (2001) 309–313]
Journal of Molecular Structure 616 (2002) 267 www.elsevier.com/locate/molstruc
Erratum
Erratum to “On theoretical VCD, IR and Raman spectra of model chiral right-hand trefoil knots” [J. Mol. Struct. 563–564 (2001) 309 – 313]q Jan Cz. Dobrowolskia,b,*, Aleksander P. Mazurekb a
Industrial Chemistry Research Institute, 8, Rydygiera Street, 01-793 Warsaw, Poland b Drug Institute, 30/34, Chełmska Street, 00-725 Warsaw, Poland Received 14 May 2002; accepted 14 May 2002
An error was found in the rotational strength data describing the vibrational circular dichroism (VCD) effect of the two model carbyne knots right-hand trefoil knots of two sizes C30 and C60. The VCD effect of a chiral structure produces bands directed toward both negative and positive side from the zero baseline. The VCD effect origins from the rotational strength which for some modes is negative and for some is positive. However, the last columns in Table 1 and Table 2 of [J. Mol. Struct. 563– 564 (2001) 309– 313] were errornously demonstrated to contain positive values, only. For the C30 trefoil carbyne knot, the
correct numbers in the rotational strength (10244esu2 cm2) column of the Table 1 (shown here as a row) should be: 0; 2 5.6; 2 5.7; 612; 22; 22; 2 155; 2 155; 0; 2 151; 2 152; 0; 431; 2 139; 2 139. Similarily, for the C60 trefoil carbyne knot, the correct numbers in the in the rotational strength (10244 esu2 cm2) column of the Table 2 (shown here as a row) should be: 2 0.5; 2 0.4; 10.6; 10.6; 0; 2 62; 0; 2 237; 2.6; 2.6; 243; 243; 0.4; 0.4; 2 111; 2 111; 0; 0; 2 0.1; 0; 0; 2 0.1; 2 0.1; 0; 2 0.1; 0; 0; 0; 0; 0.
q
PII of original article S0022-2860(00)00957-1. * Corresponding author. Address: Drug Institute, 30/34 Chełmska Street, 00-725 Warsaw, Poland. Tel.: þ 48-22-851-5230; fax: þ 4822-8410-652. E-mail address: [email protected] (J.Cz. Dobrowolski). 0022-2860/02/$ - see front matter q 2002 Elsevier Science B.V. All rights reserved. PII: S 0 0 2 2 - 2 8 6 0 ( 0 2 ) 0 0 3 2 2 - 8
Erratum
Erratum to “On theoretical VCD, IR and Raman spectra of model chiral right-hand trefoil knots” [J. Mol. Struct. 563–564 (2001) 309 – 313]q Jan Cz. Dobrowolskia,b,*, Aleksander P. Mazurekb a
Industrial Chemistry Research Institute, 8, Rydygiera Street, 01-793 Warsaw, Poland b Drug Institute, 30/34, Chełmska Street, 00-725 Warsaw, Poland Received 14 May 2002; accepted 14 May 2002
An error was found in the rotational strength data describing the vibrational circular dichroism (VCD) effect of the two model carbyne knots right-hand trefoil knots of two sizes C30 and C60. The VCD effect of a chiral structure produces bands directed toward both negative and positive side from the zero baseline. The VCD effect origins from the rotational strength which for some modes is negative and for some is positive. However, the last columns in Table 1 and Table 2 of [J. Mol. Struct. 563– 564 (2001) 309– 313] were errornously demonstrated to contain positive values, only. For the C30 trefoil carbyne knot, the
correct numbers in the rotational strength (10244esu2 cm2) column of the Table 1 (shown here as a row) should be: 0; 2 5.6; 2 5.7; 612; 22; 22; 2 155; 2 155; 0; 2 151; 2 152; 0; 431; 2 139; 2 139. Similarily, for the C60 trefoil carbyne knot, the correct numbers in the in the rotational strength (10244 esu2 cm2) column of the Table 2 (shown here as a row) should be: 2 0.5; 2 0.4; 10.6; 10.6; 0; 2 62; 0; 2 237; 2.6; 2.6; 243; 243; 0.4; 0.4; 2 111; 2 111; 0; 0; 2 0.1; 0; 0; 2 0.1; 2 0.1; 0; 2 0.1; 0; 0; 0; 0; 0.
q
PII of original article S0022-2860(00)00957-1. * Corresponding author. Address: Drug Institute, 30/34 Chełmska Street, 00-725 Warsaw, Poland. Tel.: þ 48-22-851-5230; fax: þ 4822-8410-652. E-mail address: [email protected] (J.Cz. Dobrowolski). 0022-2860/02/$ - see front matter q 2002 Elsevier Science B.V. All rights reserved. PII: S 0 0 2 2 - 2 8 6 0 ( 0 2 ) 0 0 3 2 2 - 8